3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine

C20H17ClN4O2 — CID 126651013

IUPAC3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine
SMILESCOc1ncccc1-c1cc(Cl)c(C)cc1OCc1[nH]nc2cnccc12
InChIInChI=1S/C20H17ClN4O2/c1-12-8-19(27-11-18-14-5-7-22-10-17(14)24-25-18)15(9-16(12)21)13-4-3-6-23-20(13)26-2/h3-10H,11H2,1-2H3,(H,24,25)
InChIKeyGHROPORWILKBKO-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.57
Rot. Bonds5

About 3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine

3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine (PubChem CID 126651013) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine
PubChem CID126651013
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine
SMILESCOc1ncccc1-c1cc(Cl)c(C)cc1OCc1[nH]nc2cnccc12
InChIInChI=1S/C20H17ClN4O2/c1-12-8-19(27-11-18-14-5-7-22-10-17(14)24-25-18)15(9-16(12)21)13-4-3-6-23-20(13)26-2/h3-10H,11H2,1-2H3,(H,24,25)
InChIKeyGHROPORWILKBKO-UHFFFAOYSA-N
XLogP4.57
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine (CID 126651013) is 3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine is COc1ncccc1-c1cc(Cl)c(C)cc1OCc1[nH]nc2cnccc12.
What is the InChIKey of 3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is GHROPORWILKBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-12-8-19(27-11-18-14-5-7-22-10-17(14)24-25-18)15(9-16(12)21)13-4-3-6-23-20(13)26-2/h3-10H,11H2,1-2H3,(H,24,25).
What are the key properties of 3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine?
3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 380.84 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-2-(2-methoxy-3-pyridinyl)-5-methylphenoxy]methyl]-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 126651013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).