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

C24H29N7O — CID 146593085

IUPAC6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCC(CC)n1cnnc1-c1cccc(N2Cc3c(cc(C4CC4)nc3CNC)C2=O)n1
InChIInChI=1S/C24H29N7O/c1-4-16(5-2)31-14-26-29-23(31)19-7-6-8-22(28-19)30-13-18-17(24(30)32)11-20(15-9-10-15)27-21(18)12-25-3/h6-8,11,14-16,25H,4-5,9-10,12-13H2,1-3H3
InChIKeyAZXMWNJWANSNQN-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.85
Rot. Bonds8

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

6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146593085) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146593085
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCC(CC)n1cnnc1-c1cccc(N2Cc3c(cc(C4CC4)nc3CNC)C2=O)n1
InChIInChI=1S/C24H29N7O/c1-4-16(5-2)31-14-26-29-23(31)19-7-6-8-22(28-19)30-13-18-17(24(30)32)11-20(15-9-10-15)27-21(18)12-25-3/h6-8,11,14-16,25H,4-5,9-10,12-13H2,1-3H3
InChIKeyAZXMWNJWANSNQN-UHFFFAOYSA-N
XLogP3.85
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Related Compounds

Selonsertib
CID 71245288
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
Jqez5
CID 121322599
US11142525, Example 46
CID 146572044
(2s,3s)-3-Amino-4-[(3s)-3-Fluoropyrrolidin-1-Yl]-N,N-Dimethyl-4-Oxo-2-(Trans-4-[1,2,4]triazolo[1,5-A]pyridin-5-Ylcyclohexyl)butanamide
CID 11495704
US11684616, Example 10
CID 157026891
(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564
US10399985, Example 31
CID 118278223
US10077269, Example 6
CID 118863057

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146593085) is 6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCC(CC)n1cnnc1-c1cccc(N2Cc3c(cc(C4CC4)nc3CNC)C2=O)n1.
What is the InChIKey of 6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is AZXMWNJWANSNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-4-16(5-2)31-14-26-29-23(31)19-7-6-8-22(28-19)30-13-18-17(24(30)32)11-20(15-9-10-15)27-21(18)12-25-3/h6-8,11,14-16,25H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of 6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 431.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(methylaminomethyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146593085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).