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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine

C198H323N45O7 — CID 161049827

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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC2=C1CCNC2.CC(C)(C)C1=NCC2=C1CCOC2.CC(C)(C)C1=NCC2=C1COCC2.CC(C)(C)c1c[nH]c2c1CCNC2.CC(C)(C)c1cc2c([nH]1)CNCC2.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1cc2c(n1)CCCN2.CC(C)(C)n1ccc2c1CCNC2.CC(C)(C)n1ncc2c1CCNC2.CC(C)(C)n1ncc2c1CCOC2.CC(C)(C)n1ncc2c1CNCC2.CC(C)(C)n1ncc2c1COCC2.CC(C)C1=NCC2=C1CNCC2.CC(C)c1ccon1.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/4C11H18N2.2C11H17NO.4C10H17N3.2C10H16N2O.C10H16N2.2C9H15N3.2C9H14N2O.C8H13N.C6H11N3.C6H10N2.C6H9NO/c1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)10-9-4-5-12-6-8(9)7-13-10;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;1-11(2,3)10-9-4-5-13-7-8(9)6-12-10;1-11(2,3)10-9-7-13-5-4-8(9)6-12-10;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)13-7-9-8(12-13)5-4-6-11-9;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)10-9-6-11-4-3-8(9)5-12-10;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)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;1-8(2,3)7-4-5-9-6-7;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;12H,4-7H2,1-3H3;2*6,12-13H,4-5,7H2,1-3H3;2*4-7H2,1-3H3;7,11H,4-6H2,1-3H3;6,11H,4-5,7H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);7,11H,4-6H2,1-3H3;2*6H,4-5,7H2,1-3H3;7,11H,3-6H2,1-2H3;2*6-7,10H,3-5H2,1-2H3;2*5,7H,3-4,6H2,1-2H3;4,6H,5H2,1-3H3;4H,1-3H3,(H,7,8,9);3-6H,1-2H3;3-5H,1-2H3
InChIKeyUBZHTDSOTJTALC-UHFFFAOYSA-N
MW3446.07 g/mol
LogP34.42
Rot. Bonds7

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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 161049827) has the molecular formula C198H323N45O7 and a molecular weight of 3446.07 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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID161049827
Molecular FormulaC198H323N45O7
Molecular Weight3446.07 g/mol
Exact Mass3443.63
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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine
SMILESCC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC2=C1CCNC2.CC(C)(C)C1=NCC2=C1CCOC2.CC(C)(C)C1=NCC2=C1COCC2.CC(C)(C)c1c[nH]c2c1CCNC2.CC(C)(C)c1cc2c([nH]1)CNCC2.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1cc2c(n1)CCCN2.CC(C)(C)n1ccc2c1CCNC2.CC(C)(C)n1ncc2c1CCNC2.CC(C)(C)n1ncc2c1CCOC2.CC(C)(C)n1ncc2c1CNCC2.CC(C)(C)n1ncc2c1COCC2.CC(C)C1=NCC2=C1CNCC2.CC(C)c1ccon1.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/4C11H18N2.2C11H17NO.4C10H17N3.2C10H16N2O.C10H16N2.2C9H15N3.2C9H14N2O.C8H13N.C6H11N3.C6H10N2.C6H9NO/c1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)10-9-4-5-12-6-8(9)7-13-10;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;1-11(2,3)10-9-4-5-13-7-8(9)6-12-10;1-11(2,3)10-9-7-13-5-4-8(9)6-12-10;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)13-7-9-8(12-13)5-4-6-11-9;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)10-9-6-11-4-3-8(9)5-12-10;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)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;1-8(2,3)7-4-5-9-6-7;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;12H,4-7H2,1-3H3;2*6,12-13H,4-5,7H2,1-3H3;2*4-7H2,1-3H3;7,11H,4-6H2,1-3H3;6,11H,4-5,7H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);7,11H,4-6H2,1-3H3;2*6H,4-5,7H2,1-3H3;7,11H,3-6H2,1-2H3;2*6-7,10H,3-5H2,1-2H3;2*5,7H,3-4,6H2,1-2H3;4,6H,5H2,1-3H3;4H,1-3H3,(H,7,8,9);3-6H,1-2H3;3-5H,1-2H3
InChIKeyUBZHTDSOTJTALC-UHFFFAOYSA-N
XLogP34.42
TPSA560.50 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds7
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003446.07
LogP ≤ 534.42
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine with MolForge

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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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine (CID 161049827) 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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC2=C1CCNC2.CC(C)(C)C1=NCC2=C1CCOC2.CC(C)(C)C1=NCC2=C1COCC2.CC(C)(C)c1c[nH]c2c1CCNC2.CC(C)(C)c1cc2c([nH]1)CNCC2.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1cc2c(n1)CCCN2.CC(C)(C)n1ccc2c1CCNC2.CC(C)(C)n1ncc2c1CCNC2.CC(C)(C)n1ncc2c1CCOC2.CC(C)(C)n1ncc2c1CNCC2.CC(C)(C)n1ncc2c1COCC2.CC(C)C1=NCC2=C1CNCC2.CC(C)c1ccon1.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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is UBZHTDSOTJTALC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H18N2.2C11H17NO.4C10H17N3.2C10H16N2O.C10H16N2.2C9H15N3.2C9H14N2O.C8H13N.C6H11N3.C6H10N2.C6H9NO/c1-11(2,3)13-7-5-9-8-12-6-4-10(9)13;1-11(2,3)10-9-4-5-12-6-8(9)7-13-10;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;1-11(2,3)10-9-4-5-13-7-8(9)6-12-10;1-11(2,3)10-9-7-13-5-4-8(9)6-12-10;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)13-7-9-8(12-13)5-4-6-11-9;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)10-9-6-11-4-3-8(9)5-12-10;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)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;1-8(2,3)7-4-5-9-6-7;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;12H,4-7H2,1-3H3;2*6,12-13H,4-5,7H2,1-3H3;2*4-7H2,1-3H3;7,11H,4-6H2,1-3H3;6,11H,4-5,7H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);7,11H,4-6H2,1-3H3;2*6H,4-5,7H2,1-3H3;7,11H,3-6H2,1-2H3;2*6-7,10H,3-5H2,1-2H3;2*5,7H,3-4,6H2,1-2H3;4,6H,5H2,1-3H3;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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 3446.07 g/mol, XLogP of 34.42, 7 rotatable bonds, 15 hydrogen bond donors, and 48 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-2H-pyrrole;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1-tert-butyl-3,4,6,7-tetrahydropyrano[3,4-c]pyrrole;3-tert-butyl-1,4,6,7-tetrahydropyrano[3,4-c]pyrrole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-b]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;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-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;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;3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 161049827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).