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

C25H31N7O — CID 146593087

IUPAC4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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(C4(C)CC4)nc3CNC)C2=O)n1
InChIInChI=1S/C25H31N7O/c1-5-16(6-2)32-15-27-30-23(32)19-8-7-9-22(29-19)31-14-18-17(24(31)33)12-21(25(3)10-11-25)28-20(18)13-26-4/h7-9,12,15-16,26H,5-6,10-11,13-14H2,1-4H3
InChIKeyVVMYSTSVTZZIQJ-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.03
Rot. Bonds8

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

4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146593087) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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 Name4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146593087
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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(C4(C)CC4)nc3CNC)C2=O)n1
InChIInChI=1S/C25H31N7O/c1-5-16(6-2)32-15-27-30-23(32)19-8-7-9-22(29-19)31-14-18-17(24(31)33)12-21(25(3)10-11-25)28-20(18)13-26-4/h7-9,12,15-16,26H,5-6,10-11,13-14H2,1-4H3
InChIKeyVVMYSTSVTZZIQJ-UHFFFAOYSA-N
XLogP4.03
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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

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
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
Clk1/2-IN-2
CID 59175616
US10399985, Example 31
CID 118278223
US10077269, Example 6
CID 118863057
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146593087) is 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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(C4(C)CC4)nc3CNC)C2=O)n1.
What is the InChIKey of 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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 VVMYSTSVTZZIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-5-16(6-2)32-15-27-30-23(32)19-8-7-9-22(29-19)31-14-18-17(24(31)33)12-21(25(3)10-11-25)28-20(18)13-26-4/h7-9,12,15-16,26H,5-6,10-11,13-14H2,1-4H3.
What are the key properties of 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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 445.57 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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 146593087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).