1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one

C24H31N7O — CID 129270964

IUPAC1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one
SMILESCCC(C)n1cc(N2CCCC2=O)c2cnc(Nc3ccnc(N4CCCCC4)n3)cc21
InChIInChI=1S/C24H31N7O/c1-3-17(2)31-16-20(30-13-7-8-23(30)32)18-15-26-22(14-19(18)31)27-21-9-10-25-24(28-21)29-11-5-4-6-12-29/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,25,26,27,28)
InChIKeyAFPPRSARKGWWSC-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.66
Rot. Bonds6

About 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one

1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one (PubChem CID 129270964) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one
PubChem CID129270964
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one
SMILESCCC(C)n1cc(N2CCCC2=O)c2cnc(Nc3ccnc(N4CCCCC4)n3)cc21
InChIInChI=1S/C24H31N7O/c1-3-17(2)31-16-20(30-13-7-8-23(30)32)18-15-26-22(14-19(18)31)27-21-9-10-25-24(28-21)29-11-5-4-6-12-29/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,25,26,27,28)
InChIKeyAFPPRSARKGWWSC-UHFFFAOYSA-N
XLogP4.66
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[1-butan-2-yl-6-[[2-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one
CID 90183755
N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112883142
N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-3-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-amine
CID 144632955
1-butan-2-yl-6-[[2-(3-fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-[1-(oxetan-3-yl)piperidin-4-yl]pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123776193
6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine
CID 167269911
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine
CID 112901638
1-[1-butan-2-yl-6-[[2-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]imidazolidin-2-one
CID 122509909
N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884684
N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90183273
6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-N-(2-methylsulfonylethyl)-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide
CID 90183283
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-one
CID 24845643
6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166549979

Frequently Asked Questions

What is the IUPAC name of 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one (CID 129270964) is 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one is CCC(C)n1cc(N2CCCC2=O)c2cnc(Nc3ccnc(N4CCCCC4)n3)cc21.
What is the InChIKey of 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one?
The InChIKey is AFPPRSARKGWWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-3-17(2)31-16-20(30-13-7-8-23(30)32)18-15-26-22(14-19(18)31)27-21-9-10-25-24(28-21)29-11-5-4-6-12-29/h9-10,14-17H,3-8,11-13H2,1-2H3,(H,25,26,27,28).
What are the key properties of 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one?
1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one has a molecular weight of 433.56 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butan-2-yl-6-[(2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 129270964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).