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

C24H25N5O2 — CID 139350199

IUPAC4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1cc2c(c(C3CC3)n1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O
InChIInChI=1S/C24H25N5O2/c1-15-8-19-20(22(26-15)16-6-7-16)11-29(23(19)30)18-5-3-4-17(9-18)24(12-31-13-24)10-21-27-25-14-28(21)2/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3
InChIKeyKBFRKBDZMDQMSY-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.07
Rot. Bonds5

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

4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 139350199) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID139350199
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1cc2c(c(C3CC3)n1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O
InChIInChI=1S/C24H25N5O2/c1-15-8-19-20(22(26-15)16-6-7-16)11-29(23(19)30)18-5-3-4-17(9-18)24(12-31-13-24)10-21-27-25-14-28(21)2/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3
InChIKeyKBFRKBDZMDQMSY-UHFFFAOYSA-N
XLogP3.07
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-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-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 139350199) is 4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1cc2c(c(C3CC3)n1)CN(c1cccc(C3(Cc4nncn4C)COC3)c1)C2=O.
What is the InChIKey of 4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is KBFRKBDZMDQMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-8-19-20(22(26-15)16-6-7-16)11-29(23(19)30)18-5-3-4-17(9-18)24(12-31-13-24)10-21-27-25-14-28(21)2/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 415.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methyl-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 139350199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).