4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C23H25N5O — CID 139350327

IUPAC4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1cc2c(c(C3CC3)n1)CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O
InChIInChI=1S/C23H25N5O/c1-14(9-21-26-24-13-27(21)3)17-5-4-6-18(11-17)28-12-20-19(23(28)29)10-15(2)25-22(20)16-7-8-16/h4-6,10-11,13-14,16H,7-9,12H2,1-3H3/t14-/m1/s1
InChIKeyLUKBTTSHRVQAMZ-CQSZACIVSA-N
MW387.49 g/mol
LogP3.90
Rot. Bonds5

About 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one

4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 139350327) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID139350327
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1cc2c(c(C3CC3)n1)CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O
InChIInChI=1S/C23H25N5O/c1-14(9-21-26-24-13-27(21)3)17-5-4-6-18(11-17)28-12-20-19(23(28)29)10-15(2)25-22(20)16-7-8-16/h4-6,10-11,13-14,16H,7-9,12H2,1-3H3/t14-/m1/s1
InChIKeyLUKBTTSHRVQAMZ-CQSZACIVSA-N
XLogP3.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one 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 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 139350327) is 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1cc2c(c(C3CC3)n1)CN(c1cccc([C@H](C)Cc3nncn3C)c1)C2=O.
What is the InChIKey of 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is LUKBTTSHRVQAMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25N5O/c1-14(9-21-26-24-13-27(21)3)17-5-4-6-18(11-17)28-12-20-19(23(28)29)10-15(2)25-22(20)16-7-8-16/h4-6,10-11,13-14,16H,7-9,12H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 387.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 139350327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).