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

C26H35N9O — CID 177126509

IUPAC2-[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
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CN(C)CCNC)C2=O)n1
InChIInChI=1S/C26H35N9O/c1-5-33-17-28-31-25(33)21-9-6-10-23(29-21)35-15-20-19(26(35)36)14-24(34-12-7-8-18(34)2)30-22(20)16-32(4)13-11-27-3/h6,9-10,14,17-18,27H,5,7-8,11-13,15-16H2,1-4H3/t18-/m1/s1
InChIKeyIJTVXYDHWKLQMO-GOSISDBHSA-N
MW489.63 g/mol
LogP2.56
Rot. Bonds9

About 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

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 (PubChem CID 177126509) has the molecular formula C26H35N9O and a molecular weight of 489.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID177126509
Molecular FormulaC26H35N9O
Molecular Weight489.63 g/mol
Exact Mass489.30
IUPAC Name2-[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
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CN(C)CCNC)C2=O)n1
InChIInChI=1S/C26H35N9O/c1-5-33-17-28-31-25(33)21-9-6-10-23(29-21)35-15-20-19(26(35)36)14-24(34-12-7-8-18(34)2)30-22(20)16-32(4)13-11-27-3/h6,9-10,14,17-18,27H,5,7-8,11-13,15-16H2,1-4H3/t18-/m1/s1
InChIKeyIJTVXYDHWKLQMO-GOSISDBHSA-N
XLogP2.56
TPSA95.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.63
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166824238
tert-butyl N-methyl-N-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamate
CID 146593146
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylpropanamide
CID 168902681
methyl-[[6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-2-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid
CID 175589652
methyl-[[6-(2-methylpyrrolidin-1-yl)-1-oxo-2-[6-[4-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid
CID 175589708
4-(aminomethyl)-2-[6-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 170061989
4-(1-amino-2-methylcyclopropyl)-6-(dimethylamino)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 157026925
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
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
tert-butyl N-[[2-[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-[(2R)-2-methylpyrrolidin-1-yl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylcarbamate
CID 167495274
4-(aminomethyl)-6-(dimethylamino)-2-[6-(4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166824491
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylidenepyrrolidin-1-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]-N-methylbutanamide
CID 168902636

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1cnnc1-c1cccc(N2Cc3c(cc(N4CCC[C@H]4C)nc3CN(C)CCNC)C2=O)n1.
What is the InChIKey of 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?
The InChIKey is IJTVXYDHWKLQMO-GOSISDBHSA-N. The full InChI is InChI=1S/C26H35N9O/c1-5-33-17-28-31-25(33)21-9-6-10-23(29-21)35-15-20-19(26(35)36)14-24(34-12-7-8-18(34)2)30-22(20)16-32(4)13-11-27-3/h6,9-10,14,17-18,27H,5,7-8,11-13,15-16H2,1-4H3/t18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 489.63 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177126509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).