7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H16ClN5O — CID 56780218

IUPAC7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnn(CCNCc2cc(=O)n3cc(Cl)ccc3n2)c1
InChIInChI=1S/C15H16ClN5O/c1-11-7-18-20(9-11)5-4-17-8-13-6-15(22)21-10-12(16)2-3-14(21)19-13/h2-3,6-7,9-10,17H,4-5,8H2,1H3
InChIKeyLFZBADIBIMIJIG-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.64
Rot. Bonds5

About 7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56780218) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56780218
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnn(CCNCc2cc(=O)n3cc(Cl)ccc3n2)c1
InChIInChI=1S/C15H16ClN5O/c1-11-7-18-20(9-11)5-4-17-8-13-6-15(22)21-10-12(16)2-3-14(21)19-13/h2-3,6-7,9-10,17H,4-5,8H2,1H3
InChIKeyLFZBADIBIMIJIG-UHFFFAOYSA-N
XLogP1.64
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 56780218) is 7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cnn(CCNCc2cc(=O)n3cc(Cl)ccc3n2)c1.
What is the InChIKey of 7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LFZBADIBIMIJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-11-7-18-20(9-11)5-4-17-8-13-6-15(22)21-10-12(16)2-3-14(21)19-13/h2-3,6-7,9-10,17H,4-5,8H2,1H3.
What are the key properties of 7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 317.78 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56780218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).