3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline

C22H14F2N4 — CID 10067867

IUPAC3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline
SMILESCc1cc2c(cn1)cnn2-c1c(F)c(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C22H14F2N4/c1-13-10-19-14(11-25-13)12-26-28(19)22-16-7-3-5-9-18(16)27-21(20(22)24)15-6-2-4-8-17(15)23/h2-12H,1H3
InChIKeyLZJVNXUJZPACNI-UHFFFAOYSA-N
MW372.38 g/mol
LogP5.22
Rot. Bonds2

About 3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline

3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline (PubChem CID 10067867) has the molecular formula C22H14F2N4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline.

Molecular Properties

Compound Name3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline
PubChem CID10067867
Molecular FormulaC22H14F2N4
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline
SMILESCc1cc2c(cn1)cnn2-c1c(F)c(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C22H14F2N4/c1-13-10-19-14(11-25-13)12-26-28(19)22-16-7-3-5-9-18(16)27-21(20(22)24)15-6-2-4-8-17(15)23/h2-12H,1H3
InChIKeyLZJVNXUJZPACNI-UHFFFAOYSA-N
XLogP5.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline?
The IUPAC name of 3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline (CID 10067867) is 3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline.
What is the SMILES notation for 3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline?
The canonical SMILES for 3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline is Cc1cc2c(cn1)cnn2-c1c(F)c(-c2ccccc2F)nc2ccccc12.
What is the InChIKey of 3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline?
The InChIKey is LZJVNXUJZPACNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4/c1-13-10-19-14(11-25-13)12-26-28(19)22-16-7-3-5-9-18(16)27-21(20(22)24)15-6-2-4-8-17(15)23/h2-12H,1H3.
What are the key properties of 3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline?
3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline has a molecular weight of 372.38 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-fluorophenyl)-4-(6-methylpyrazolo[4,5-c]pyridin-1-yl)quinoline is sourced from PubChem (CID 10067867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).