5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one

C15H16ClN5O — CID 21066402

IUPAC5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(Cl)nc12
InChIInChI=1S/C15H16ClN5O/c1-3-11-8-18-21-13(6-12(16)19-15(11)21)17-7-10-4-5-14(22)20(2)9-10/h4-6,8-9,17H,3,7H2,1-2H3
InChIKeyOOWXDJDBWKWRNW-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.26
Rot. Bonds4

About 5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one

5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one (PubChem CID 21066402) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one
PubChem CID21066402
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one
SMILESCCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(Cl)nc12
InChIInChI=1S/C15H16ClN5O/c1-3-11-8-18-21-13(6-12(16)19-15(11)21)17-7-10-4-5-14(22)20(2)9-10/h4-6,8-9,17H,3,7H2,1-2H3
InChIKeyOOWXDJDBWKWRNW-UHFFFAOYSA-N
XLogP2.26
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one (CID 21066402) is 5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one is CCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(Cl)nc12.
What is the InChIKey of 5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one?
The InChIKey is OOWXDJDBWKWRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-3-11-8-18-21-13(6-12(16)19-15(11)21)17-7-10-4-5-14(22)20(2)9-10/h4-6,8-9,17H,3,7H2,1-2H3.
What are the key properties of 5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one?
5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one has a molecular weight of 317.78 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 21066402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).