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

C19H13ClF2N4 — CID 155388948

IUPAC1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESFC(F)c1cccc(-c2cnc3cnn(Cc4cncc(Cl)c4)c3c2)c1
InChIInChI=1S/C19H13ClF2N4/c20-16-4-12(7-23-9-16)11-26-18-6-15(8-24-17(18)10-25-26)13-2-1-3-14(5-13)19(21)22/h1-10,19H,11H2
InChIKeySLPAKDNQDFFJCF-UHFFFAOYSA-N
MW370.79 g/mol
LogP5.13
Rot. Bonds4

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

1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388948) has the molecular formula C19H13ClF2N4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
PubChem CID155388948
Molecular FormulaC19H13ClF2N4
Molecular Weight370.79 g/mol
Exact Mass370.08
IUPAC Name1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESFC(F)c1cccc(-c2cnc3cnn(Cc4cncc(Cl)c4)c3c2)c1
InChIInChI=1S/C19H13ClF2N4/c20-16-4-12(7-23-9-16)11-26-18-6-15(8-24-17(18)10-25-26)13-2-1-3-14(5-13)19(21)22/h1-10,19H,11H2
InChIKeySLPAKDNQDFFJCF-UHFFFAOYSA-N
XLogP5.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.79
LogP ≤ 55.13
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)phenyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (CID 155388948) is 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is FC(F)c1cccc(-c2cnc3cnn(Cc4cncc(Cl)c4)c3c2)c1.
What is the InChIKey of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The InChIKey is SLPAKDNQDFFJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4/c20-16-4-12(7-23-9-16)11-26-18-6-15(8-24-17(18)10-25-26)13-2-1-3-14(5-13)19(21)22/h1-10,19H,11H2.
What are the key properties of 1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethyl)phenyl]pyrazolo[4,5-b]pyridine has a molecular weight of 370.79 g/mol, XLogP of 5.13, 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)phenyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).