2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen

C32H40N6O — CID 170737160

IUPAC2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen
SMILESCC1CC(c2cccc(-n3cc(C4CC4)c4cc(CN5CCC6(CC5)CC6)[nH]c4c3=O)c2)(c2nncn2C)C1.[H][H]
InChIInChI=1S/C32H38N6O.H2/c1-21-16-32(17-21,30-35-33-20-36(30)2)23-4-3-5-25(14-23)38-19-27(22-6-7-22)26-15-24(34-28(26)29(38)39)18-37-12-10-31(8-9-31)11-13-37;/h3-5,14-15,19-22,34H,6-13,16-18H2,1-2H3;1H
InChIKeyQXXYBKQASQEVKN-UHFFFAOYSA-N
MW524.71 g/mol
LogP5.66
Rot. Bonds6

About 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen

2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen (PubChem CID 170737160) has the molecular formula C32H40N6O and a molecular weight of 524.71 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen
PubChem CID170737160
Molecular FormulaC32H40N6O
Molecular Weight524.71 g/mol
Exact Mass524.33
IUPAC Name2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen
SMILESCC1CC(c2cccc(-n3cc(C4CC4)c4cc(CN5CCC6(CC5)CC6)[nH]c4c3=O)c2)(c2nncn2C)C1.[H][H]
InChIInChI=1S/C32H38N6O.H2/c1-21-16-32(17-21,30-35-33-20-36(30)2)23-4-3-5-25(14-23)38-19-27(22-6-7-22)26-15-24(34-28(26)29(38)39)18-37-12-10-31(8-9-31)11-13-37;/h3-5,14-15,19-22,34H,6-13,16-18H2,1-2H3;1H
InChIKeyQXXYBKQASQEVKN-UHFFFAOYSA-N
XLogP5.66
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen (CID 170737160) is 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen is CC1CC(c2cccc(-n3cc(C4CC4)c4cc(CN5CCC6(CC5)CC6)[nH]c4c3=O)c2)(c2nncn2C)C1.[H][H].
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen?
The InChIKey is QXXYBKQASQEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O.H2/c1-21-16-32(17-21,30-35-33-20-36(30)2)23-4-3-5-25(14-23)38-19-27(22-6-7-22)26-15-24(34-28(26)29(38)39)18-37-12-10-31(8-9-31)11-13-37;/h3-5,14-15,19-22,34H,6-13,16-18H2,1-2H3;1H.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen?
2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen has a molecular weight of 524.71 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-ylmethyl)-4-cyclopropyl-6-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one;molecular hydrogen is sourced from PubChem (CID 170737160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).