Jsm-10292

C28H24F3N5O2 — CID 25019714

IUPAC1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCC1=C(C(=NC=C1)CN2C=CC=C(C2=O)C(F)(F)F)COC3=CC=CC4=C(C=C(N=C43)C)C5=C(C=NN5)C
InChIInChI=1S/C28H24F3N5O2/c1-16-9-10-32-23(14-36-11-5-7-22(27(36)37)28(29,30)31)21(16)15-38-24-8-4-6-19-20(12-18(3)34-26(19)24)25-17(2)13-33-35-25/h4-13H,14-15H2,1-3H3,(H,33,35)
InChIKeyKFVOKCIYVVCZGF-UHFFFAOYSA-N
MW519.50 g/mol
LogP4.60
Rot. Bonds6

About Jsm-10292

Jsm-10292 (PubChem CID 25019714) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.50 g/mol. Its IUPAC name is 1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound NameJsm-10292
PubChem CID25019714
Molecular FormulaC28H24F3N5O2
Molecular Weight519.50 g/mol
Exact Mass519.19
IUPAC Name1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCC1=C(C(=NC=C1)CN2C=CC=C(C2=O)C(F)(F)F)COC3=CC=CC4=C(C=C(N=C43)C)C5=C(C=NN5)C
InChIInChI=1S/C28H24F3N5O2/c1-16-9-10-32-23(14-36-11-5-7-22(27(36)37)28(29,30)31)21(16)15-38-24-8-4-6-19-20(12-18(3)34-26(19)24)25-17(2)13-33-35-25/h4-13H,14-15H2,1-3H3,(H,33,35)
InChIKeyKFVOKCIYVVCZGF-UHFFFAOYSA-N
XLogP4.60
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity911

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze Jsm-10292 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 Jsm-10292?
The IUPAC name of Jsm-10292 (CID 25019714) is 1-[[4-methyl-3-[[2-methyl-4-(4-methyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for Jsm-10292?
The canonical SMILES for Jsm-10292 is CC1=C(C(=NC=C1)CN2C=CC=C(C2=O)C(F)(F)F)COC3=CC=CC4=C(C=C(N=C43)C)C5=C(C=NN5)C.
What is the InChIKey of Jsm-10292?
The InChIKey is KFVOKCIYVVCZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-16-9-10-32-23(14-36-11-5-7-22(27(36)37)28(29,30)31)21(16)15-38-24-8-4-6-19-20(12-18(3)34-26(19)24)25-17(2)13-33-35-25/h4-13H,14-15H2,1-3H3,(H,33,35).
What are the key properties of Jsm-10292?
Jsm-10292 has a molecular weight of 519.50 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Jsm-10292 is sourced from PubChem (CID 25019714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).