6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

C25H32N8O — CID 146593029

IUPAC6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCNCc1nc(N2[C@H](C)CC[C@@H]2C)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O
InChIInChI=1S/C25H32N8O/c1-15(2)32-14-27-30-24(32)20-7-6-8-22(28-20)31-13-19-18(25(31)34)11-23(29-21(19)12-26-5)33-16(3)9-10-17(33)4/h6-8,11,14-17,26H,9-10,12-13H2,1-5H3/t16-,17+
InChIKeyFDBNRNNLUPPEJY-CALCHBBNSA-N
MW460.59 g/mol
LogP3.57
Rot. Bonds6

About 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one

6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146593029) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146593029
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCNCc1nc(N2[C@H](C)CC[C@@H]2C)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O
InChIInChI=1S/C25H32N8O/c1-15(2)32-14-27-30-24(32)20-7-6-8-22(28-20)31-13-19-18(25(31)34)11-23(29-21(19)12-26-5)33-16(3)9-10-17(33)4/h6-8,11,14-17,26H,9-10,12-13H2,1-5H3/t16-,17+
InChIKeyFDBNRNNLUPPEJY-CALCHBBNSA-N
XLogP3.57
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-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

[6-[(2R,4R)-2,4-dimethylazetidin-1-yl]-1-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
CID 146593181
4-(methylaminomethyl)-6-pyrrolidin-1-yl-2-[6-[4-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146572154
4-(aminomethyl)-6-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146611060
2-[6-[4-[(2S)-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 146611899
2-[6-[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-pyrrolidin-1-yl-3H-isoindol-1-one
CID 166627131
2-[6-[4-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 167495384
4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146572106
2-[3-[6-[4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]benzonitrile
CID 167495127
4-[3-[6-[4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-1-oxo-3H-pyrrolo[3,4-c]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-4-yl]benzonitrile
CID 167495402
N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide
CID 175095219
[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]boronic acid
CID 148580494
2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 177126509

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146593029) is 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is CNCc1nc(N2[C@H](C)CC[C@@H]2C)cc2c1CN(c1cccc(-c3nncn3C(C)C)n1)C2=O.
What is the InChIKey of 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is FDBNRNNLUPPEJY-CALCHBBNSA-N. The full InChI is InChI=1S/C25H32N8O/c1-15(2)32-14-27-30-24(32)20-7-6-8-22(28-20)31-13-19-18(25(31)34)11-23(29-21(19)12-26-5)33-16(3)9-10-17(33)4/h6-8,11,14-17,26H,9-10,12-13H2,1-5H3/t16-,17+.
What are the key properties of 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one?
6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 460.59 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-(methylaminomethyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146593029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).