9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C17H21N5O — CID 56781911

IUPAC9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CNC(C)C(C)n3cccn3)nc12
InChIInChI=1S/C17H21N5O/c1-12-6-4-8-21-16(23)10-15(20-17(12)21)11-18-13(2)14(3)22-9-5-7-19-22/h4-10,13-14,18H,11H2,1-3H3
InChIKeyPKVNTACNHIWNBP-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.94
Rot. Bonds5

About 9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56781911) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56781911
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CNC(C)C(C)n3cccn3)nc12
InChIInChI=1S/C17H21N5O/c1-12-6-4-8-21-16(23)10-15(20-17(12)21)11-18-13(2)14(3)22-9-5-7-19-22/h4-10,13-14,18H,11H2,1-3H3
InChIKeyPKVNTACNHIWNBP-UHFFFAOYSA-N
XLogP1.94
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 56781911) is 9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CNC(C)C(C)n3cccn3)nc12.
What is the InChIKey of 9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PKVNTACNHIWNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-6-4-8-21-16(23)10-15(20-17(12)21)11-18-13(2)14(3)22-9-5-7-19-22/h4-10,13-14,18H,11H2,1-3H3.
What are the key properties of 9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 311.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[(3-pyrazol-1-ylbutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56781911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).