1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one

C15H20N4O2 — CID 110197475

IUPAC1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one
SMILESCCC(=O)N1CCC[C@H](n2c(=O)n(C)c3cccnc32)C1
InChIInChI=1S/C15H20N4O2/c1-3-13(20)18-9-5-6-11(10-18)19-14-12(7-4-8-16-14)17(2)15(19)21/h4,7-8,11H,3,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyABVVUWDYDYMZSP-NSHDSACASA-N
MW288.35 g/mol
LogP1.31
Rot. Bonds2

About 1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one

1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one (PubChem CID 110197475) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one
PubChem CID110197475
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one
SMILESCCC(=O)N1CCC[C@H](n2c(=O)n(C)c3cccnc32)C1
InChIInChI=1S/C15H20N4O2/c1-3-13(20)18-9-5-6-11(10-18)19-14-12(7-4-8-16-14)17(2)15(19)21/h4,7-8,11H,3,5-6,9-10H2,1-2H3/t11-/m0/s1
InChIKeyABVVUWDYDYMZSP-NSHDSACASA-N
XLogP1.31
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one (CID 110197475) is 1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one is CCC(=O)N1CCC[C@H](n2c(=O)n(C)c3cccnc32)C1.
What is the InChIKey of 1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is ABVVUWDYDYMZSP-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-13(20)18-9-5-6-11(10-18)19-14-12(7-4-8-16-14)17(2)15(19)21/h4,7-8,11H,3,5-6,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one?
1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-1-propanoylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 110197475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).