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

C22H28N8O — CID 172730535

IUPAC4-(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
SMILESCCN(C)c1cc2c(c(C(C)N)n1)CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O
InChIInChI=1S/C22H28N8O/c1-6-28(5)19-11-15-16(20(25-19)13(3)23)12-30(22(15)31)18-10-8-9-17(24-18)21-27-26-14(4)29(21)7-2/h8-11,13H,6-7,12,23H2,1-5H3
InChIKeyHSTNCASEWCXQEN-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.70
Rot. Bonds6

About 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

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 (PubChem CID 172730535) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID172730535
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name4-(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
SMILESCCN(C)c1cc2c(c(C(C)N)n1)CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O
InChIInChI=1S/C22H28N8O/c1-6-28(5)19-11-15-16(20(25-19)13(3)23)12-30(22(15)31)18-10-8-9-17(24-18)21-27-26-14(4)29(21)7-2/h8-11,13H,6-7,12,23H2,1-5H3
InChIKeyHSTNCASEWCXQEN-UHFFFAOYSA-N
XLogP2.70
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-(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-[(1S)-1-aminoethyl]-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 157026808
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
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
4-[(1R)-1-aminopropyl]-2-[6-[(5R)-5-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-6-[methyl(propan-2-yl)amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 157026823
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-[methyl(propan-2-yl)amino]-2-[6-(4-pentan-3-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 146610508
4-(1-aminoethyl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 157026915
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C)c1cc2c(c(C(C)N)n1)CN(c1cccc(-c3nnc(C)n3CC)n1)C2=O.
What is the InChIKey of 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?
The InChIKey is HSTNCASEWCXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O/c1-6-28(5)19-11-15-16(20(25-19)13(3)23)12-30(22(15)31)18-10-8-9-17(24-18)21-27-26-14(4)29(21)7-2/h8-11,13H,6-7,12,23H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 420.52 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172730535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).