4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one

C18H18ClN5O2 — CID 136883288

IUPAC4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H](c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C18H18ClN5O2/c1-11-17(24-9-13(19)4-5-15(24)22-11)18(26)23-6-2-3-12(8-23)14-7-16(25)21-10-20-14/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,20,21,25)/t12-/m0/s1
InChIKeyCYKXMPVLKAGLQF-LBPRGKRZSA-N
MW371.83 g/mol
LogP2.40
Rot. Bonds2

About 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one

4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136883288) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136883288
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H](c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C18H18ClN5O2/c1-11-17(24-9-13(19)4-5-15(24)22-11)18(26)23-6-2-3-12(8-23)14-7-16(25)21-10-20-14/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,20,21,25)/t12-/m0/s1
InChIKeyCYKXMPVLKAGLQF-LBPRGKRZSA-N
XLogP2.40
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-oxo-3-[3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]propanamide
CID 137253242
(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124984218
(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 124953289
4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136801295
4-[(3R)-1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136816938
4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 135882181
3-(6-oxo-1H-pyrimidin-4-yl)-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-1-carboxamide
CID 137028643
(3R)-3-(6-oxo-1H-pyrimidin-4-yl)-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-1-carboxamide
CID 137043793
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 132772039
(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
CID 46957604
4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136967921
(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608540

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one (CID 136883288) is 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one is Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@H](c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is CYKXMPVLKAGLQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-11-17(24-9-13(19)4-5-15(24)22-11)18(26)23-6-2-3-12(8-23)14-7-16(25)21-10-20-14/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,20,21,25)/t12-/m0/s1.
What are the key properties of 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 371.83 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136883288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).