3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine

C18H13ClFN5 — CID 11544891

IUPAC3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCc1cc(Cl)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1
InChIInChI=1S/C18H13ClFN5/c1-11-9-15(19)23-17(22-11)16-13-6-4-8-21-18(13)25(24-16)10-12-5-2-3-7-14(12)20/h2-9H,10H2,1H3
InChIKeyCTWVKRKJSCRANZ-UHFFFAOYSA-N
MW353.79 g/mol
LogP4.04
Rot. Bonds3

About 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine

3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine (PubChem CID 11544891) has the molecular formula C18H13ClFN5 and a molecular weight of 353.79 g/mol. Its IUPAC name is 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
PubChem CID11544891
Molecular FormulaC18H13ClFN5
Molecular Weight353.79 g/mol
Exact Mass353.08
IUPAC Name3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCc1cc(Cl)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1
InChIInChI=1S/C18H13ClFN5/c1-11-9-15(19)23-17(22-11)16-13-6-4-8-21-18(13)25(24-16)10-12-5-2-3-7-14(12)20/h2-9H,10H2,1H3
InChIKeyCTWVKRKJSCRANZ-UHFFFAOYSA-N
XLogP4.04
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine (CID 11544891) is 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine is Cc1cc(Cl)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1.
What is the InChIKey of 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is CTWVKRKJSCRANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5/c1-11-9-15(19)23-17(22-11)16-13-6-4-8-21-18(13)25(24-16)10-12-5-2-3-7-14(12)20/h2-9H,10H2,1H3.
What are the key properties of 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine?
3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 353.79 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-methylpyrimidin-2-yl)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 11544891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).