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

C23H16F2N4 — CID 10317976

IUPAC4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline
SMILESCc1cc2c(cn1)c(C)nn2-c1c(F)c(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C23H16F2N4/c1-13-11-20-17(12-26-13)14(2)28-29(20)23-16-8-4-6-10-19(16)27-22(21(23)25)15-7-3-5-9-18(15)24/h3-12H,1-2H3
InChIKeyBXJWIMFORBJZEW-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.53
Rot. Bonds2

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

4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline (PubChem CID 10317976) has the molecular formula C23H16F2N4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline.

Molecular Properties

Compound Name4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline
PubChem CID10317976
Molecular FormulaC23H16F2N4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline
SMILESCc1cc2c(cn1)c(C)nn2-c1c(F)c(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C23H16F2N4/c1-13-11-20-17(12-26-13)14(2)28-29(20)23-16-8-4-6-10-19(16)27-22(21(23)25)15-7-3-5-9-18(15)24/h3-12H,1-2H3
InChIKeyBXJWIMFORBJZEW-UHFFFAOYSA-N
XLogP5.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline?
The IUPAC name of 4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline (CID 10317976) is 4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline.
What is the SMILES notation for 4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline?
The canonical SMILES for 4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline is Cc1cc2c(cn1)c(C)nn2-c1c(F)c(-c2ccccc2F)nc2ccccc12.
What is the InChIKey of 4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline?
The InChIKey is BXJWIMFORBJZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4/c1-13-11-20-17(12-26-13)14(2)28-29(20)23-16-8-4-6-10-19(16)27-22(21(23)25)15-7-3-5-9-18(15)24/h3-12H,1-2H3.
What are the key properties of 4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline?
4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline has a molecular weight of 386.41 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylpyrazolo[4,5-c]pyridin-1-yl)-3-fluoro-2-(2-fluorophenyl)quinoline is sourced from PubChem (CID 10317976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).