1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C223H326N44O7 — CID 159257280

IUPAC1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2n(n1)CCNC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=NC2.CC(C)(C)c1cn2c(n1)CNCC2.CC(C)(C)c1cnc2n1CCNC2.CC(C)(C)c1cnn2c1CNCC2.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1nc2n(n1)CCNC2.CC(C)(C)n1ncc2c1COCC2.CC(C)C1=Cc2ccncc2C1.CC(C)C1=NCC2=C1CCOC2.CC(C)C1=NCC2=C1COCC2.CC(C)c1cc2c(cn1)C=CC2.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1cnc2c(c1)CC=C2.CC(C)c1nnc2n1CCNC2.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)COCC2.CC(C)n1cc2cnccc2n1
InChIInChI=1S/C13H16.C12H15N.C11H14N2.4C11H13N.5C10H17N3.C10H16N2O.3C10H15NO.C9H16N4.C9H11N3.3C9H14N2O.C8H14N4/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-8(2)10-5-9-3-4-12-7-11(9)6-10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-8(2)11-6-9-4-3-5-10(9)7-12-11;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-10(2,3)8-7-13-5-4-11-6-9(13)12-8;1-10(2,3)8-6-12-9-7-11-4-5-13(8)9;1-10(2,3)8-6-12-13-5-4-11-7-9(8)13;1-10(2,3)9-6-8-7-11-4-5-13(8)12-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)12-9-7-13-5-4-8(9)6-11-12;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;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)11-5-8-3-4-12-6-9(8)10-11;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-6(2)8-11-10-7-5-9-3-4-12(7)8/h4-5,7-9H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7,13H,1-3H3;3-5,7-8H,6H2,1-2H3;2*3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;7,11H,4-6H2,1-3H3;3*6,11H,4-5,7H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);6H,4-5,7H2,1-3H3;3*7H,3-6H2,1-2H3;10H,4-6H2,1-3H3;3-7H,1-2H3;5,7H,3-4,6H2,1-2H3;2*6,10H,3-5H2,1-2H3;6,9H,3-5H2,1-2H3
InChIKeyKWBCNEXIKDXMKW-UHFFFAOYSA-N
MW3735.36 g/mol
LogP42.45
Rot. Bonds12

About 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 159257280) has the molecular formula C223H326N44O7 and a molecular weight of 3735.36 g/mol. Its IUPAC name is 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID159257280
Molecular FormulaC223H326N44O7
Molecular Weight3735.36 g/mol
Exact Mass3732.65
IUPAC Name1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2n(n1)CCNC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=NC2.CC(C)(C)c1cn2c(n1)CNCC2.CC(C)(C)c1cnc2n1CCNC2.CC(C)(C)c1cnn2c1CNCC2.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1nc2n(n1)CCNC2.CC(C)(C)n1ncc2c1COCC2.CC(C)C1=Cc2ccncc2C1.CC(C)C1=NCC2=C1CCOC2.CC(C)C1=NCC2=C1COCC2.CC(C)c1cc2c(cn1)C=CC2.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1cnc2c(c1)CC=C2.CC(C)c1nnc2n1CCNC2.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)COCC2.CC(C)n1cc2cnccc2n1
InChIInChI=1S/C13H16.C12H15N.C11H14N2.4C11H13N.5C10H17N3.C10H16N2O.3C10H15NO.C9H16N4.C9H11N3.3C9H14N2O.C8H14N4/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-8(2)10-5-9-3-4-12-7-11(9)6-10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-8(2)11-6-9-4-3-5-10(9)7-12-11;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-10(2,3)8-7-13-5-4-11-6-9(13)12-8;1-10(2,3)8-6-12-9-7-11-4-5-13(8)9;1-10(2,3)8-6-12-13-5-4-11-7-9(8)13;1-10(2,3)9-6-8-7-11-4-5-13(8)12-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)12-9-7-13-5-4-8(9)6-11-12;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;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)11-5-8-3-4-12-6-9(8)10-11;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-6(2)8-11-10-7-5-9-3-4-12(7)8/h4-5,7-9H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7,13H,1-3H3;3-5,7-8H,6H2,1-2H3;2*3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;7,11H,4-6H2,1-3H3;3*6,11H,4-5,7H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);6H,4-5,7H2,1-3H3;3*7H,3-6H2,1-2H3;10H,4-6H2,1-3H3;3-7H,1-2H3;5,7H,3-4,6H2,1-2H3;2*6,10H,3-5H2,1-2H3;6,9H,3-5H2,1-2H3
InChIKeyKWBCNEXIKDXMKW-UHFFFAOYSA-N
XLogP42.45
TPSA568.33 Ų
H-Bond Donors11
H-Bond Acceptors49
Rotatable Bonds12
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003735.36
LogP ≤ 542.45
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1049

Analyze 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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What is the IUPAC name of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 159257280) is 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2n(n1)CCNC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=NC2.CC(C)(C)c1cn2c(n1)CNCC2.CC(C)(C)c1cnc2n1CCNC2.CC(C)(C)c1cnn2c1CNCC2.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1nc2n(n1)CCNC2.CC(C)(C)n1ncc2c1COCC2.CC(C)C1=Cc2ccncc2C1.CC(C)C1=NCC2=C1CCOC2.CC(C)C1=NCC2=C1COCC2.CC(C)c1cc2c(cn1)C=CC2.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1cnc2c(c1)CC=C2.CC(C)c1nnc2n1CCNC2.CC(C)c1onc2c1CCCC2.CC(C)c1onc2c1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)COCC2.CC(C)n1cc2cnccc2n1.
What is the InChIKey of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KWBCNEXIKDXMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.C12H15N.C11H14N2.4C11H13N.5C10H17N3.C10H16N2O.3C10H15NO.C9H16N4.C9H11N3.3C9H14N2O.C8H14N4/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-8(2)10-5-9-3-4-12-7-11(9)6-10;1-8(2)10-6-9-4-3-5-11(9)12-7-10;1-8(2)11-6-9-4-3-5-10(9)7-12-11;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-10(2,3)8-7-13-5-4-11-6-9(13)12-8;1-10(2,3)8-6-12-9-7-11-4-5-13(8)9;1-10(2,3)8-6-12-13-5-4-11-7-9(8)13;1-10(2,3)9-6-8-7-11-4-5-13(8)12-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)12-9-7-13-5-4-8(9)6-11-12;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;1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)11-5-8-3-4-12-6-9(8)10-11;1-6(2)9-7-5-10-4-3-8(7)11-12-9;1-6(2)9-7-3-4-10-5-8(7)11-12-9;1-6(2)8-11-10-7-5-9-3-4-12(7)8/h4-5,7-9H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7,13H,1-3H3;3-5,7-8H,6H2,1-2H3;2*3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;7,11H,4-6H2,1-3H3;3*6,11H,4-5,7H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);6H,4-5,7H2,1-3H3;3*7H,3-6H2,1-2H3;10H,4-6H2,1-3H3;3-7H,1-2H3;5,7H,3-4,6H2,1-2H3;2*6,10H,3-5H2,1-2H3;6,9H,3-5H2,1-2H3.
What are the key properties of 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 3735.36 g/mol, XLogP of 42.45, 12 rotatable bonds, 11 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[b]pyridine;3-propan-2-yl-5H-cyclopenta[c]pyridine;6-propan-2-yl-7H-cyclopenta[c]pyridine;2-propan-2-yl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole;2-propan-2-ylpyrazolo[4,3-c]pyridine;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;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-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;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 159257280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).