1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one

C22H28N4O — CID 138686305

IUPAC1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)nc3c2C(C)C)cn(C)c1=O
InChIInChI=1S/C22H28N4O/c1-13(2)19-20(16-11-14(3)22(27)26(4)12-16)25-18-6-5-17(24-21(18)19)15-7-9-23-10-8-15/h5-6,11-13,15,23,25H,7-10H2,1-4H3
InChIKeyHVTDXGUARZTFKU-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.83
Rot. Bonds3

About 1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one

1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one (PubChem CID 138686305) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
PubChem CID138686305
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)nc3c2C(C)C)cn(C)c1=O
InChIInChI=1S/C22H28N4O/c1-13(2)19-20(16-11-14(3)22(27)26(4)12-16)25-18-6-5-17(24-21(18)19)15-7-9-23-10-8-15/h5-6,11-13,15,23,25H,7-10H2,1-4H3
InChIKeyHVTDXGUARZTFKU-UHFFFAOYSA-N
XLogP3.83
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
CID 138686638
2-[4-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]piperidin-1-yl]acetaldehyde
CID 166865328
1,3-dimethyl-5-[2-[1-(oxolan-3-yl)piperidin-4-yl]-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl]pyridin-2-one
CID 154641045
1,3-dimethyl-5-[3-propan-2-yl-5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]pyridin-2-one
CID 137464445
1-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-prop-1-en-2-ylpyridin-2-one
CID 137464469
1-methyl-3-piperidin-1-yl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridin-2-one
CID 137464689
5-[5-[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,3-dimethylpyridin-2-one
CID 137464654
4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylcyclohexan-1-amine
CID 138686809
N-methyl-4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexan-1-amine
CID 138686779
2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide
CID 138688605
6-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
CID 138686999
5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 164876114

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one (CID 138686305) is 1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one is Cc1cc(-c2[nH]c3ccc(C4CCNCC4)nc3c2C(C)C)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one?
The InChIKey is HVTDXGUARZTFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-13(2)19-20(16-11-14(3)22(27)26(4)12-16)25-18-6-5-17(24-21(18)19)15-7-9-23-10-8-15/h5-6,11-13,15,23,25H,7-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one?
1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one is sourced from PubChem (CID 138686305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).