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

C25H28F3N7O — CID 146634528

IUPAC4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-[4-(1,1,1-trifluoropentan-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCC(CC(F)(F)F)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CNC)C2=O)n1
InChIInChI=1S/C25H28F3N7O/c1-4-15(11-25(26,27)28)35-14-30-33-22(35)18-6-5-7-21(32-18)34-13-17-16(23(34)36)10-20(24(2)8-9-24)31-19(17)12-29-3/h5-7,10,14-15,29H,4,8-9,11-13H2,1-3H3
InChIKeyJPAHUZMLRDQURM-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.57
Rot. Bonds8

About 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-[4-(1,1,1-trifluoropentan-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-(1,1,1-trifluoropentan-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146634528) has the molecular formula C25H28F3N7O and a molecular weight of 499.54 g/mol. Its IUPAC name is 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-[4-(1,1,1-trifluoropentan-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-(1,1,1-trifluoropentan-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146634528
Molecular FormulaC25H28F3N7O
Molecular Weight499.54 g/mol
Exact Mass499.23
IUPAC Name4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-[4-(1,1,1-trifluoropentan-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCC(CC(F)(F)F)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CNC)C2=O)n1
InChIInChI=1S/C25H28F3N7O/c1-4-15(11-25(26,27)28)35-14-30-33-22(35)18-6-5-7-21(32-18)34-13-17-16(23(34)36)10-20(24(2)8-9-24)31-19(17)12-29-3/h5-7,10,14-15,29H,4,8-9,11-13H2,1-3H3
InChIKeyJPAHUZMLRDQURM-UHFFFAOYSA-N
XLogP4.57
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-[4-(1,1,1-trifluoropentan-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
US10399985, Example 31
CID 118278223
US11142525, Example 46
CID 146572044
US11142525, Example 107
CID 146611033
2-[6-[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-(dimethylamino)-4-(methylaminomethyl)-3H-isoindol-1-one
CID 157038858
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(4-{5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl}phenyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895720
2-{6-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]pyridin-2-Yl}-2,3-Dihydro-1h-Isoindol-1-One
CID 127053602
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 165414967
US11684616, Example 10
CID 157026891
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-[4-(1,1,1-trifluoropentan-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-(1,1,1-trifluoropentan-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146634528) is 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-[4-(1,1,1-trifluoropentan-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-(1,1,1-trifluoropentan-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-(1,1,1-trifluoropentan-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CCC(CC(F)(F)F)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CNC)C2=O)n1.
What is the InChIKey of 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-[4-(1,1,1-trifluoropentan-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is JPAHUZMLRDQURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N7O/c1-4-15(11-25(26,27)28)35-14-30-33-22(35)18-6-5-7-21(32-18)34-13-17-16(23(34)36)10-20(24(2)8-9-24)31-19(17)12-29-3/h5-7,10,14-15,29H,4,8-9,11-13H2,1-3H3.
What are the key properties of 4-(methylaminomethyl)-6-(1-methylcyclopropyl)-2-[6-[4-(1,1,1-trifluoropentan-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-(1,1,1-trifluoropentan-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 499.54 g/mol, XLogP of 4.57, 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-(1,1,1-trifluoropentan-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146634528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).