7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H20ClN5O — CID 96582179

IUPAC7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCn1ccnc1[C@@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1
InChIInChI=1S/C18H20ClN5O/c1-22-8-6-20-18(22)13-3-2-7-23(10-13)12-15-9-17(25)24-11-14(19)4-5-16(24)21-15/h4-6,8-9,11,13H,2-3,7,10,12H2,1H3/t13-/m1/s1
InChIKeyRIVZGSRHWSXWMH-CYBMUJFWSA-N
MW357.85 g/mol
LogP2.46
Rot. Bonds3

About 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 96582179) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID96582179
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCn1ccnc1[C@@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1
InChIInChI=1S/C18H20ClN5O/c1-22-8-6-20-18(22)13-3-2-7-23(10-13)12-15-9-17(25)24-11-14(19)4-5-16(24)21-15/h4-6,8-9,11,13H,2-3,7,10,12H2,1H3/t13-/m1/s1
InChIKeyRIVZGSRHWSXWMH-CYBMUJFWSA-N
XLogP2.46
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-chloro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672390
2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 96571659
2-methyl-5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 96571660
7-chloro-2-[[4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55627437
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 62063255
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
7-chloro-2-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146082591
7-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 86774691
2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119907105
7-chloro-2-[[4-(2-oxopyrrolidin-1-yl)azepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 128712245
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 118766913

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 96582179) is 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cn1ccnc1[C@@H]1CCCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1.
What is the InChIKey of 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RIVZGSRHWSXWMH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-22-8-6-20-18(22)13-3-2-7-23(10-13)12-15-9-17(25)24-11-14(19)4-5-16(24)21-15/h4-6,8-9,11,13H,2-3,7,10,12H2,1H3/t13-/m1/s1.
What are the key properties of 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 357.85 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 96582179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).