[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol

C20H19ClFN3O — CID 118211486

IUPAC[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1CO
InChIInChI=1S/C20H19ClFN3O/c1-12(2)16-10-24-19(15-7-14(21)3-4-17(15)22)8-20(16)25-18-5-6-23-9-13(18)11-26/h3-10,12,26H,11H2,1-2H3,(H,23,24,25)
InChIKeyFHXHXQSYPGJHNC-UHFFFAOYSA-N
MW371.84 g/mol
LogP5.30
Rot. Bonds5

About [4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol

[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol (PubChem CID 118211486) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is [4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol
PubChem CID118211486
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol
SMILESCC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1CO
InChIInChI=1S/C20H19ClFN3O/c1-12(2)16-10-24-19(15-7-14(21)3-4-17(15)22)8-20(16)25-18-5-6-23-9-13(18)11-26/h3-10,12,26H,11H2,1-2H3,(H,23,24,25)
InChIKeyFHXHXQSYPGJHNC-UHFFFAOYSA-N
XLogP5.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.84
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol 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-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol?
The IUPAC name of [4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol (CID 118211486) is [4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol.
What is the SMILES notation for [4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol?
The canonical SMILES for [4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol is CC(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1CO.
What is the InChIKey of [4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol?
The InChIKey is FHXHXQSYPGJHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-12(2)16-10-24-19(15-7-14(21)3-4-17(15)22)8-20(16)25-18-5-6-23-9-13(18)11-26/h3-10,12,26H,11H2,1-2H3,(H,23,24,25).
What are the key properties of [4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol?
[4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol has a molecular weight of 371.84 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]-3-pyridinyl]methanol is sourced from PubChem (CID 118211486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).