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

C20H15ClF2N4O2 — CID 155389015

IUPAC6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cncc(Cn2ncc3ncc(-c4ccc(Cl)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C20H15ClF2N4O2/c1-28-15-4-12(7-24-9-15)11-27-18-5-14(8-25-17(18)10-26-27)13-2-3-16(21)19(6-13)29-20(22)23/h2-10,20H,11H2,1H3
InChIKeyNIYXVQNKNBXCIH-UHFFFAOYSA-N
MW416.82 g/mol
LogP4.80
Rot. Bonds6

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

6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389015) has the molecular formula C20H15ClF2N4O2 and a molecular weight of 416.82 g/mol. Its IUPAC name is 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389015
Molecular FormulaC20H15ClF2N4O2
Molecular Weight416.82 g/mol
Exact Mass416.09
IUPAC Name6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cncc(Cn2ncc3ncc(-c4ccc(Cl)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C20H15ClF2N4O2/c1-28-15-4-12(7-24-9-15)11-27-18-5-14(8-25-17(18)10-26-27)13-2-3-16(21)19(6-13)29-20(22)23/h2-10,20H,11H2,1H3
InChIKeyNIYXVQNKNBXCIH-UHFFFAOYSA-N
XLogP4.80
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389015) is 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is COc1cncc(Cn2ncc3ncc(-c4ccc(Cl)c(OC(F)F)c4)cc32)c1.
What is the InChIKey of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is NIYXVQNKNBXCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O2/c1-28-15-4-12(7-24-9-15)11-27-18-5-14(8-25-17(18)10-26-27)13-2-3-16(21)19(6-13)29-20(22)23/h2-10,20H,11H2,1H3.
What are the key properties of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 416.82 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).