6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

C19H14ClFN4O — CID 155389269

IUPAC6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cncc(Cn2ncc3ncc(-c4ccc(F)c(Cl)c4)cc32)c1
InChIInChI=1S/C19H14ClFN4O/c1-26-15-4-12(7-22-9-15)11-25-19-6-14(8-23-18(19)10-24-25)13-2-3-17(21)16(20)5-13/h2-10H,11H2,1H3
InChIKeyHLRSSHABQIBQMC-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.34
Rot. Bonds4

About 6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389269) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389269
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cncc(Cn2ncc3ncc(-c4ccc(F)c(Cl)c4)cc32)c1
InChIInChI=1S/C19H14ClFN4O/c1-26-15-4-12(7-22-9-15)11-25-19-6-14(8-23-18(19)10-24-25)13-2-3-17(21)16(20)5-13/h2-10H,11H2,1H3
InChIKeyHLRSSHABQIBQMC-UHFFFAOYSA-N
XLogP4.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389269) is 6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is COc1cncc(Cn2ncc3ncc(-c4ccc(F)c(Cl)c4)cc32)c1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is HLRSSHABQIBQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c1-26-15-4-12(7-22-9-15)11-25-19-6-14(8-23-18(19)10-24-25)13-2-3-17(21)16(20)5-13/h2-10H,11H2,1H3.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 368.80 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).