1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine

C19H12ClF3N4 — CID 155399931

IUPAC1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine
SMILESFc1c(-c2cnc3cnn(Cc4cncc(Cl)c4)c3c2)cccc1C(F)F
InChIInChI=1S/C19H12ClF3N4/c20-13-4-11(6-24-8-13)10-27-17-5-12(7-25-16(17)9-26-27)14-2-1-3-15(18(14)21)19(22)23/h1-9,19H,10H2
InChIKeyIBBPUGPDBSIANR-UHFFFAOYSA-N
MW388.78 g/mol
LogP5.27
Rot. Bonds4

About 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine

1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine (PubChem CID 155399931) has the molecular formula C19H12ClF3N4 and a molecular weight of 388.78 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine
PubChem CID155399931
Molecular FormulaC19H12ClF3N4
Molecular Weight388.78 g/mol
Exact Mass388.07
IUPAC Name1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine
SMILESFc1c(-c2cnc3cnn(Cc4cncc(Cl)c4)c3c2)cccc1C(F)F
InChIInChI=1S/C19H12ClF3N4/c20-13-4-11(6-24-8-13)10-27-17-5-12(7-25-16(17)9-26-27)14-2-1-3-15(18(14)21)19(22)23/h1-9,19H,10H2
InChIKeyIBBPUGPDBSIANR-UHFFFAOYSA-N
XLogP5.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.78
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine (CID 155399931) is 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine is Fc1c(-c2cnc3cnn(Cc4cncc(Cl)c4)c3c2)cccc1C(F)F.
What is the InChIKey of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine?
The InChIKey is IBBPUGPDBSIANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4/c20-13-4-11(6-24-8-13)10-27-17-5-12(7-25-16(17)9-26-27)14-2-1-3-15(18(14)21)19(22)23/h1-9,19H,10H2.
What are the key properties of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine?
1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine has a molecular weight of 388.78 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)-2-fluorophenyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155399931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).