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

C20H15ClF2N4O — CID 155390212

IUPAC6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1cncc(Cn2ncc3ncc(-c4ccc(Cl)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C20H15ClF2N4O/c1-12-4-13(8-24-7-12)11-27-18-5-15(9-25-17(18)10-26-27)14-2-3-16(21)19(6-14)28-20(22)23/h2-10,20H,11H2,1H3
InChIKeyFRZSHPFLPHHSJT-UHFFFAOYSA-N
MW400.82 g/mol
LogP5.10
Rot. Bonds5

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

6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155390212) has the molecular formula C20H15ClF2N4O and a molecular weight of 400.82 g/mol. Its IUPAC name is 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155390212
Molecular FormulaC20H15ClF2N4O
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC Name6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1cncc(Cn2ncc3ncc(-c4ccc(Cl)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C20H15ClF2N4O/c1-12-4-13(8-24-7-12)11-27-18-5-15(9-25-17(18)10-26-27)14-2-3-16(21)19(6-14)28-20(22)23/h2-10,20H,11H2,1H3
InChIKeyFRZSHPFLPHHSJT-UHFFFAOYSA-N
XLogP5.10
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.82
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155390212) is 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Cc1cncc(Cn2ncc3ncc(-c4ccc(Cl)c(OC(F)F)c4)cc32)c1.
What is the InChIKey of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is FRZSHPFLPHHSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O/c1-12-4-13(8-24-7-12)11-27-18-5-15(9-25-17(18)10-26-27)14-2-3-16(21)19(6-14)28-20(22)23/h2-10,20H,11H2,1H3.
What are the key properties of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 400.82 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155390212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).