2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H18ClN5O — CID 86850460

IUPAC2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCN(c3ccc(Cl)cn3)CC2)nc2ccccn12
InChIInChI=1S/C18H18ClN5O/c19-14-4-5-16(20-12-14)23-9-7-22(8-10-23)13-15-11-18(25)24-6-2-1-3-17(24)21-15/h1-6,11-12H,7-10,13H2
InChIKeyQCZHDFYKFBPCQP-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.07
Rot. Bonds3

About 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 86850460) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID86850460
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCN(c3ccc(Cl)cn3)CC2)nc2ccccn12
InChIInChI=1S/C18H18ClN5O/c19-14-4-5-16(20-12-14)23-9-7-22(8-10-23)13-15-11-18(25)24-6-2-1-3-17(24)21-15/h1-6,11-12H,7-10,13H2
InChIKeyQCZHDFYKFBPCQP-UHFFFAOYSA-N
XLogP2.07
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18199925
2-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55564882
2-[[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42945200
7-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46827842
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 42888390
2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42945115
7-chloro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18136686
2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975427
2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42949475
2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293842
4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine
CID 77088933

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 86850460) is 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCN(c3ccc(Cl)cn3)CC2)nc2ccccn12.
What is the InChIKey of 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QCZHDFYKFBPCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-14-4-5-16(20-12-14)23-9-7-22(8-10-23)13-15-11-18(25)24-6-2-1-3-17(24)21-15/h1-6,11-12H,7-10,13H2.
What are the key properties of 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 355.83 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 86850460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).