3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one

C16H20N4O2 — CID 110197474

IUPAC3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n([C@H]2CCCN(C(=O)C3CC3)C2)c2ncccc21
InChIInChI=1S/C16H20N4O2/c1-18-13-5-2-8-17-14(13)20(16(18)22)12-4-3-9-19(10-12)15(21)11-6-7-11/h2,5,8,11-12H,3-4,6-7,9-10H2,1H3/t12-/m0/s1
InChIKeyGQOILONSNAHTJG-LBPRGKRZSA-N
MW300.36 g/mol
LogP1.31
Rot. Bonds2

About 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one

3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 110197474) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID110197474
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n([C@H]2CCCN(C(=O)C3CC3)C2)c2ncccc21
InChIInChI=1S/C16H20N4O2/c1-18-13-5-2-8-17-14(13)20(16(18)22)12-4-3-9-19(10-12)15(21)11-6-7-11/h2,5,8,11-12H,3-4,6-7,9-10H2,1H3/t12-/m0/s1
InChIKeyGQOILONSNAHTJG-LBPRGKRZSA-N
XLogP1.31
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one (CID 110197474) is 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n([C@H]2CCCN(C(=O)C3CC3)C2)c2ncccc21.
What is the InChIKey of 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is GQOILONSNAHTJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-18-13-5-2-8-17-14(13)20(16(18)22)12-4-3-9-19(10-12)15(21)11-6-7-11/h2,5,8,11-12H,3-4,6-7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 300.36 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 3-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 110197474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).