7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H20ClN5O — CID 118766913

IUPAC7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)n(C2CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)C2)n1
InChIInChI=1S/C18H20ClN5O/c1-12-7-13(2)24(21-12)16-5-6-22(11-16)10-15-8-18(25)23-9-14(19)3-4-17(23)20-15/h3-4,7-9,16H,5-6,10-11H2,1-2H3
InChIKeyCQMAHPKVWXCZMO-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.61
Rot. Bonds3

About 7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 118766913) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID118766913
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)n(C2CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)C2)n1
InChIInChI=1S/C18H20ClN5O/c1-12-7-13(2)24(21-12)16-5-6-22(11-16)10-15-8-18(25)23-9-14(19)3-4-17(23)20-15/h3-4,7-9,16H,5-6,10-11H2,1-2H3
InChIKeyCQMAHPKVWXCZMO-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 118766913) is 7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(C)n(C2CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)C2)n1.
What is the InChIKey of 7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CQMAHPKVWXCZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-12-7-13(2)24(21-12)16-5-6-22(11-16)10-15-8-18(25)23-9-14(19)3-4-17(23)20-15/h3-4,7-9,16H,5-6,10-11H2,1-2H3.
What are the key properties of 7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 357.85 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118766913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).