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

C19H12ClF3N4O — CID 155388718

IUPAC1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cncc(Cl)c4)c3c2)cc1OC(F)F
InChIInChI=1S/C19H12ClF3N4O/c20-14-3-11(6-24-8-14)10-27-17-4-13(7-25-16(17)9-26-27)12-1-2-15(21)18(5-12)28-19(22)23/h1-9,19H,10H2
InChIKeyNWZZGFHHRXMAFZ-UHFFFAOYSA-N
MW404.78 g/mol
LogP4.94
Rot. Bonds5

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

1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388718) has the molecular formula C19H12ClF3N4O and a molecular weight of 404.78 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine
PubChem CID155388718
Molecular FormulaC19H12ClF3N4O
Molecular Weight404.78 g/mol
Exact Mass404.07
IUPAC Name1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cncc(Cl)c4)c3c2)cc1OC(F)F
InChIInChI=1S/C19H12ClF3N4O/c20-14-3-11(6-24-8-14)10-27-17-4-13(7-25-16(17)9-26-27)12-1-2-15(21)18(5-12)28-19(22)23/h1-9,19H,10H2
InChIKeyNWZZGFHHRXMAFZ-UHFFFAOYSA-N
XLogP4.94
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.78
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine (CID 155388718) is 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine is Fc1ccc(-c2cnc3cnn(Cc4cncc(Cl)c4)c3c2)cc1OC(F)F.
What is the InChIKey of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine?
The InChIKey is NWZZGFHHRXMAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O/c20-14-3-11(6-24-8-14)10-27-17-4-13(7-25-16(17)9-26-27)12-1-2-15(21)18(5-12)28-19(22)23/h1-9,19H,10H2.
What are the key properties of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine?
1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine has a molecular weight of 404.78 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).