6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C22H28N8O — CID 146634090

IUPAC6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN(C)c1cc2c(c(CNC)n1)CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O
InChIInChI=1S/C22H28N8O/c1-6-28(5)20-11-15-16(18(25-20)12-23-4)13-30(22(15)31)19-10-8-9-17(24-19)21-27-26-14(3)29(21)7-2/h8-11,23H,6-7,12-13H2,1-5H3
InChIKeyDPAUQUUSKFGMPC-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.40
Rot. Bonds7

About 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146634090) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146634090
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCN(C)c1cc2c(c(CNC)n1)CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O
InChIInChI=1S/C22H28N8O/c1-6-28(5)20-11-15-16(18(25-20)12-23-4)13-30(22(15)31)19-10-8-9-17(24-19)21-27-26-14(3)29(21)7-2/h8-11,23H,6-7,12-13H2,1-5H3
InChIKeyDPAUQUUSKFGMPC-UHFFFAOYSA-N
XLogP2.40
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Related Compounds

4-(1-aminoethyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 172730535
4-(1-aminopropa-1,2-dienyl)-6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 176539816
4-(aminomethyl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[ethyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146611381
4-(methylaminomethyl)-2-[6-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 167495101
4-(aminomethyl)-6-(diethylamino)-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146611061
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
4-(methylaminomethyl)-6-[methyl(propan-2-yl)amino]-2-[6-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 167495388
4-(aminomethyl)-6-(2,2-dimethylpyrrolidin-1-yl)-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146610506
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
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
methyl-[[6-[methyl(propan-2-yl)amino]-2-[6-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl]carbamic acid
CID 146572034

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146634090) is 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is CCN(C)c1cc2c(c(CNC)n1)CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O.
What is the InChIKey of 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is DPAUQUUSKFGMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O/c1-6-28(5)20-11-15-16(18(25-20)12-23-4)13-30(22(15)31)19-10-8-9-17(24-19)21-27-26-14(3)29(21)7-2/h8-11,23H,6-7,12-13H2,1-5H3.
What are the key properties of 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 420.52 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(methyl)amino]-2-[6-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146634090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).