2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C25H29N7O — CID 146610867

IUPAC2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCNCc1nc(C2(C)CC2)cc2c1CN(c1cccc(-c3nncn3C3CCCC3)n1)C2=O
InChIInChI=1S/C25H29N7O/c1-25(10-11-25)21-12-17-18(20(28-21)13-26-2)14-31(24(17)33)22-9-5-8-19(29-22)23-30-27-15-32(23)16-6-3-4-7-16/h5,8-9,12,15-16,26H,3-4,6-7,10-11,13-14H2,1-2H3
InChIKeyLJUACUHNLOSQFN-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.78
Rot. Bonds6

About 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one

2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146610867) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146610867
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCNCc1nc(C2(C)CC2)cc2c1CN(c1cccc(-c3nncn3C3CCCC3)n1)C2=O
InChIInChI=1S/C25H29N7O/c1-25(10-11-25)21-12-17-18(20(28-21)13-26-2)14-31(24(17)33)22-9-5-8-19(29-22)23-30-27-15-32(23)16-6-3-4-7-16/h5,8-9,12,15-16,26H,3-4,6-7,10-11,13-14H2,1-2H3
InChIKeyLJUACUHNLOSQFN-UHFFFAOYSA-N
XLogP3.78
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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

Related Compounds

4-((R)-1-Aminopropyl)-2-(6-((S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-yl)-6-((R)-2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 163557606
6-(dimethylamino)-4-((methylamino)methyl)-2-(6-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-1H,2H,3H-pyrrolo(3,4-c)pyridin-1-one
CID 146572046
6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl]-4-[(methylamino)methyl]-1H,2H,3H-pyrrolo[3,4-c]pyridin-1-one
CID 146572180
US11142525, Example 46
CID 146572044
US11684616, Example 10
CID 157026891
(R)-3-Methyl-7-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-2-((6-methylpyridin-2-yl)methyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 122604287
(3S)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604354
US11142525, Example 55
CID 146571959
US11142525, Example 17
CID 146571961
US11142525, Example 63
CID 146572106
US11142525, Example 107
CID 146611033
US11684616, Example 140
CID 157026830

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146610867) is 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one is CNCc1nc(C2(C)CC2)cc2c1CN(c1cccc(-c3nncn3C3CCCC3)n1)C2=O.
What is the InChIKey of 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is LJUACUHNLOSQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-25(10-11-25)21-12-17-18(20(28-21)13-26-2)14-31(24(17)33)22-9-5-8-19(29-22)23-30-27-15-32(23)16-6-3-4-7-16/h5,8-9,12,15-16,26H,3-4,6-7,10-11,13-14H2,1-2H3.
What are the key properties of 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 443.56 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146610867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).