1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one

C13H12ClN5O — CID 63220626

IUPAC1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2nc(Cl)c3cnn(C)c3n2)c1=O
InChIInChI=1S/C13H12ClN5O/c1-8-4-3-5-19(13(8)20)7-10-16-11(14)9-6-15-18(2)12(9)17-10/h3-6H,7H2,1-2H3
InChIKeyAXMFCCVLSMMASA-UHFFFAOYSA-N
MW289.73 g/mol
LogP1.54
Rot. Bonds2

About 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one

1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one (PubChem CID 63220626) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one
PubChem CID63220626
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2nc(Cl)c3cnn(C)c3n2)c1=O
InChIInChI=1S/C13H12ClN5O/c1-8-4-3-5-19(13(8)20)7-10-16-11(14)9-6-15-18(2)12(9)17-10/h3-6H,7H2,1-2H3
InChIKeyAXMFCCVLSMMASA-UHFFFAOYSA-N
XLogP1.54
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one (CID 63220626) is 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one is Cc1cccn(Cc2nc(Cl)c3cnn(C)c3n2)c1=O.
What is the InChIKey of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one?
The InChIKey is AXMFCCVLSMMASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-8-4-3-5-19(13(8)20)7-10-16-11(14)9-6-15-18(2)12(9)17-10/h3-6H,7H2,1-2H3.
What are the key properties of 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one?
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one has a molecular weight of 289.73 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63220626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).