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

C24H29N7O2 — CID 146610509

IUPAC2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC[C@H](CO)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CNC)C2=O)n1
InChIInChI=1S/C24H29N7O2/c1-4-15(13-32)31-14-26-29-22(31)18-6-5-7-21(28-18)30-12-17-16(23(30)33)10-20(24(2)8-9-24)27-19(17)11-25-3/h5-7,10,14-15,25,32H,4,8-9,11-13H2,1-3H3/t15-/m1/s1
InChIKeyNUWMZMVTZAVGLI-OAHLLOKOSA-N
MW447.54 g/mol
LogP2.61
Rot. Bonds8

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

2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146610509) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-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-[(2R)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146610509
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCC[C@H](CO)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CNC)C2=O)n1
InChIInChI=1S/C24H29N7O2/c1-4-15(13-32)31-14-26-29-22(31)18-6-5-7-21(28-18)30-12-17-16(23(30)33)10-20(24(2)8-9-24)27-19(17)11-25-3/h5-7,10,14-15,25,32H,4,8-9,11-13H2,1-3H3/t15-/m1/s1
InChIKeyNUWMZMVTZAVGLI-OAHLLOKOSA-N
XLogP2.61
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-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
(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
US11142525, Example 46
CID 146572044
(3S)-2-(2-methoxyethyl)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604219
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
5-(2-Methoxyethyl)-1-Methyl-2-[2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydropyrrolo[3,2-C]pyridin-4-One
CID 126480565
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
US11684616, Example 10
CID 157026891

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-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-[(2R)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146610509) is 2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-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-[(2R)-1-hydroxybutan-2-yl]-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-[(2R)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one is CC[C@H](CO)n1cnnc1-c1cccc(N2Cc3c(cc(C4(C)CC4)nc3CNC)C2=O)n1.
What is the InChIKey of 2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is NUWMZMVTZAVGLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-4-15(13-32)31-14-26-29-22(31)18-6-5-7-21(28-18)30-12-17-16(23(30)33)10-20(24(2)8-9-24)27-19(17)11-25-3/h5-7,10,14-15,25,32H,4,8-9,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-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 447.54 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(2R)-1-hydroxybutan-2-yl]-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 146610509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).