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

C22H25N7O — CID 146593072

IUPAC6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(C4CCC4)nc3CNC)C2=O)n1
InChIInChI=1S/C22H25N7O/c1-3-28-13-24-27-21(28)17-8-5-9-20(26-17)29-12-16-15(22(29)30)10-18(14-6-4-7-14)25-19(16)11-23-2/h5,8-10,13-14,23H,3-4,6-7,11-12H2,1-2H3
InChIKeyFSSVMGHNALUNQT-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.90
Rot. Bonds6

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

6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 146593072) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID146593072
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCn1cnnc1-c1cccc(N2Cc3c(cc(C4CCC4)nc3CNC)C2=O)n1
InChIInChI=1S/C22H25N7O/c1-3-28-13-24-27-21(28)17-8-5-9-20(26-17)29-12-16-15(22(29)30)10-18(14-6-4-7-14)25-19(16)11-23-2/h5,8-10,13-14,23H,3-4,6-7,11-12H2,1-2H3
InChIKeyFSSVMGHNALUNQT-UHFFFAOYSA-N
XLogP2.90
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyclobutyl-2-[6-(4-ethyl-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-((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
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
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
Jqez5
CID 121322599
US11142525, Example 46
CID 146572044
US11684616, Example 10
CID 157026891
US10399985, Example 31
CID 118278223
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
(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
7-[5-Methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604256
(R)-3-Methyl-7-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-2-((6-methylpyridin-2-yl)methyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 122604287

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 146593072) is 6-cyclobutyl-2-[6-(4-ethyl-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-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is CCn1cnnc1-c1cccc(N2Cc3c(cc(C4CCC4)nc3CNC)C2=O)n1.
What is the InChIKey of 6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is FSSVMGHNALUNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-3-28-13-24-27-21(28)17-8-5-9-20(26-17)29-12-16-15(22(29)30)10-18(14-6-4-7-14)25-19(16)11-23-2/h5,8-10,13-14,23H,3-4,6-7,11-12H2,1-2H3.
What are the key properties of 6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 403.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4-(methylaminomethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 146593072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).