1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine

C11H8ClN5 — CID 134439991

IUPAC1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine
SMILESCc1nn(-c2cc(Cl)ncn2)c2ccncc12
InChIInChI=1S/C11H8ClN5/c1-7-8-5-13-3-2-9(8)17(16-7)11-4-10(12)14-6-15-11/h2-6H,1H3
InChIKeyQPQDRXGZMGKCTN-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.17
Rot. Bonds1

About 1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine

1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine (PubChem CID 134439991) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine
PubChem CID134439991
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine
SMILESCc1nn(-c2cc(Cl)ncn2)c2ccncc12
InChIInChI=1S/C11H8ClN5/c1-7-8-5-13-3-2-9(8)17(16-7)11-4-10(12)14-6-15-11/h2-6H,1H3
InChIKeyQPQDRXGZMGKCTN-UHFFFAOYSA-N
XLogP2.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine (CID 134439991) is 1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine is Cc1nn(-c2cc(Cl)ncn2)c2ccncc12.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine?
The InChIKey is QPQDRXGZMGKCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c1-7-8-5-13-3-2-9(8)17(16-7)11-4-10(12)14-6-15-11/h2-6H,1H3.
What are the key properties of 1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine?
1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine has a molecular weight of 245.67 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine is sourced from PubChem (CID 134439991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).