1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine

C212H343N49O9 — CID 158307817

IUPAC1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCC(C)(C)c1c[nH]c2c1CCNC2.CC(C)(C)c1cc2c([nH]1)CNCC2.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc2c1CCNC2.CC(C)(C)n1ncc2c1CCNC2.CC(C)(C)n1ncc2c1CCOC2.CC(C)(C)n1ncc2c1CNCC2.CC(C)(C)n1ncc2c1COCC2.CC(C)C1=NCC2=C1CCNC2.CC(C)C1=NCC2=C1CCOC2.CC(C)C1=NCC2=C1CNCC2.CC(C)C1=NCC2=C1COCC2.CC(C)c1ccon1.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)n1cc2c(n1)CCCN2.CC(C)n1cc2c(n1)CCNC2.CC(C)n1cc2c(n1)CCOC2.CC(C)n1cc2c(n1)CNCC2.CC(C)n1cc2c(n1)COCC2.CC(C)n1cccn1
InChIInChI=1S/3C11H18N2.3C10H17N3.2C10H16N2O.2C10H16N2.3C10H15NO.3C9H15N3.3C9H14N2O.C7H12N2.C6H11N3.C6H10N2.C6H9NO/c1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)9-6-13-10-7-12-5-4-8(9)10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)12-9-4-5-13-7-8(9)6-11-12;1-10(2,3)12-9-7-13-5-4-8(9)6-11-12;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-7(2)10-9-3-4-12-6-8(9)5-11-10;1-7(2)10-9-6-12-4-3-8(9)5-11-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-7(2)12-6-9-8(11-12)4-3-5-10-9;1-7(2)11-5-8-6-12-4-3-9(8)10-11;1-7(2)11-5-8-3-4-12-6-9(8)10-11;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-7(2,3)6-4-8-9-5-6;1-6(2,3)5-7-4-8-9-5;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-8-7-6/h5,7,12H,4,6,8H2,1-3H3;2*6,12-13H,4-5,7H2,1-3H3;7,11H,4-6H2,1-3H3;6,11H,4-5,7H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);2*6H,4-5,7H2,1-3H3;2*7,11H,3-6H2,1-2H3;3*7H,3-6H2,1-2H3;3*6-7,10H,3-5H2,1-2H3;2*5,7H,3-4,6H2,1-2H3;6,10H,3-5H2,1-2H3;4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);3-6H,1-2H3;3-5H,1-2H3
InChIKeyGNHORWPMMQVMSH-UHFFFAOYSA-N
MW3722.41 g/mol
LogP36.86
Rot. Bonds13

About 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine

1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 158307817) has the molecular formula C212H343N49O9 and a molecular weight of 3722.41 g/mol. Its IUPAC name is 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID158307817
Molecular FormulaC212H343N49O9
Molecular Weight3722.41 g/mol
Exact Mass3719.79
IUPAC Name1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCC(C)(C)c1c[nH]c2c1CCNC2.CC(C)(C)c1cc2c([nH]1)CNCC2.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc2c1CCNC2.CC(C)(C)n1ncc2c1CCNC2.CC(C)(C)n1ncc2c1CCOC2.CC(C)(C)n1ncc2c1CNCC2.CC(C)(C)n1ncc2c1COCC2.CC(C)C1=NCC2=C1CCNC2.CC(C)C1=NCC2=C1CCOC2.CC(C)C1=NCC2=C1CNCC2.CC(C)C1=NCC2=C1COCC2.CC(C)c1ccon1.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)n1cc2c(n1)CCCN2.CC(C)n1cc2c(n1)CCNC2.CC(C)n1cc2c(n1)CCOC2.CC(C)n1cc2c(n1)CNCC2.CC(C)n1cc2c(n1)COCC2.CC(C)n1cccn1
InChIInChI=1S/3C11H18N2.3C10H17N3.2C10H16N2O.2C10H16N2.3C10H15NO.3C9H15N3.3C9H14N2O.C7H12N2.C6H11N3.C6H10N2.C6H9NO/c1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)9-6-13-10-7-12-5-4-8(9)10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)12-9-4-5-13-7-8(9)6-11-12;1-10(2,3)12-9-7-13-5-4-8(9)6-11-12;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-7(2)10-9-3-4-12-6-8(9)5-11-10;1-7(2)10-9-6-12-4-3-8(9)5-11-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-7(2)12-6-9-8(11-12)4-3-5-10-9;1-7(2)11-5-8-6-12-4-3-9(8)10-11;1-7(2)11-5-8-3-4-12-6-9(8)10-11;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-7(2,3)6-4-8-9-5-6;1-6(2,3)5-7-4-8-9-5;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-8-7-6/h5,7,12H,4,6,8H2,1-3H3;2*6,12-13H,4-5,7H2,1-3H3;7,11H,4-6H2,1-3H3;6,11H,4-5,7H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);2*6H,4-5,7H2,1-3H3;2*7,11H,3-6H2,1-2H3;3*7H,3-6H2,1-2H3;3*6-7,10H,3-5H2,1-2H3;2*5,7H,3-4,6H2,1-2H3;6,10H,3-5H2,1-2H3;4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);3-6H,1-2H3;3-5H,1-2H3
InChIKeyGNHORWPMMQVMSH-UHFFFAOYSA-N
XLogP36.86
TPSA640.91 Ų
H-Bond Donors17
H-Bond Acceptors53
Rotatable Bonds13
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003722.41
LogP ≤ 536.86
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1053

Analyze 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (CID 158307817) is 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is CC(C)(C)c1c[nH]c2c1CCNC2.CC(C)(C)c1cc2c([nH]1)CNCC2.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc2c1CCNC2.CC(C)(C)n1ncc2c1CCNC2.CC(C)(C)n1ncc2c1CCOC2.CC(C)(C)n1ncc2c1CNCC2.CC(C)(C)n1ncc2c1COCC2.CC(C)C1=NCC2=C1CCNC2.CC(C)C1=NCC2=C1CCOC2.CC(C)C1=NCC2=C1CNCC2.CC(C)C1=NCC2=C1COCC2.CC(C)c1ccon1.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)n1cc2c(n1)CCCN2.CC(C)n1cc2c(n1)CCNC2.CC(C)n1cc2c(n1)CCOC2.CC(C)n1cc2c(n1)CNCC2.CC(C)n1cc2c(n1)COCC2.CC(C)n1cccn1.
What is the InChIKey of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is GNHORWPMMQVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H18N2.3C10H17N3.2C10H16N2O.2C10H16N2.3C10H15NO.3C9H15N3.3C9H14N2O.C7H12N2.C6H11N3.C6H10N2.C6H9NO/c1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)9-6-13-10-7-12-5-4-8(9)10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)12-9-4-5-13-7-8(9)6-11-12;1-10(2,3)12-9-7-13-5-4-8(9)6-11-12;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-7(2)10-9-3-4-12-6-8(9)5-11-10;1-7(2)10-9-6-12-4-3-8(9)5-11-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-7(2)12-6-9-8(11-12)4-3-5-10-9;1-7(2)11-5-8-6-12-4-3-9(8)10-11;1-7(2)11-5-8-3-4-12-6-9(8)10-11;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-7(2,3)6-4-8-9-5-6;1-6(2,3)5-7-4-8-9-5;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-8-7-6/h5,7,12H,4,6,8H2,1-3H3;2*6,12-13H,4-5,7H2,1-3H3;7,11H,4-6H2,1-3H3;6,11H,4-5,7H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);2*6H,4-5,7H2,1-3H3;2*7,11H,3-6H2,1-2H3;3*7H,3-6H2,1-2H3;3*6-7,10H,3-5H2,1-2H3;2*5,7H,3-4,6H2,1-2H3;6,10H,3-5H2,1-2H3;4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,8,9);3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 3722.41 g/mol, XLogP of 36.86, 13 rotatable bonds, 17 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazole;4-tert-butyl-1H-pyrazole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;5-tert-butyl-1H-1,2,4-triazole;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;3-propan-2-yl-4,5,6,7-tetrahydro-2,1-benzoxazole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine;1-propan-2-yl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;1-propan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 158307817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).