Skip to content

UBSWCPQTZJVVGC-UHFFFAOYSA-N

C30H25F3N6O3 — CID 151976312

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2,2-difluoroethyl)-4-[[6-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxybenzamide
SMILESCOc1c(Nc2nc3ccc(-c4ccc(C(=O)NCc5ccc(F)cc5)cc4)cn3n2)ccc(C(N)=O)c1CC(F)F
InChIInChI=1S/C30H25F3N6O3/c1-42-27-23(14-25(32)33)22(28(34)40)11-12-24(27)36-30-37-26-13-8-20(16-39(26)38-30)18-4-6-19(7-5-18)29(41)35-15-17-2-9-21(31)10-3-17/h2-13,16,25H,14-15H2,1H3,(H2,34,40)(H,35,41)(H,36,38)
InChIKeyUBSWCPQTZJVVGC-UHFFFAOYSA-N
MW574.56 g/mol
LogP5.12
Rot. Bonds10

About UBSWCPQTZJVVGC-UHFFFAOYSA-N

UBSWCPQTZJVVGC-UHFFFAOYSA-N (PubChem CID 151976312) has the molecular formula C30H25F3N6O3 and a molecular weight of 574.56 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-4-[[6-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxybenzamide.

Molecular Properties

Compound NameUBSWCPQTZJVVGC-UHFFFAOYSA-N
PubChem CID151976312
Molecular FormulaC30H25F3N6O3
Molecular Weight574.56 g/mol
Exact Mass574.19
IUPAC Name2-(2,2-difluoroethyl)-4-[[6-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxybenzamide
SMILESCOc1c(Nc2nc3ccc(-c4ccc(C(=O)NCc5ccc(F)cc5)cc4)cn3n2)ccc(C(N)=O)c1CC(F)F
InChIInChI=1S/C30H25F3N6O3/c1-42-27-23(14-25(32)33)22(28(34)40)11-12-24(27)36-30-37-26-13-8-20(16-39(26)38-30)18-4-6-19(7-5-18)29(41)35-15-17-2-9-21(31)10-3-17/h2-13,16,25H,14-15H2,1H3,(H2,34,40)(H,35,41)(H,36,38)
InChIKeyUBSWCPQTZJVVGC-UHFFFAOYSA-N
XLogP5.12
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.56
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze UBSWCPQTZJVVGC-UHFFFAOYSA-N 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 UBSWCPQTZJVVGC-UHFFFAOYSA-N?
The IUPAC name of UBSWCPQTZJVVGC-UHFFFAOYSA-N (CID 151976312) is 2-(2,2-difluoroethyl)-4-[[6-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-methoxybenzamide.
What is the SMILES notation for UBSWCPQTZJVVGC-UHFFFAOYSA-N?
The canonical SMILES for UBSWCPQTZJVVGC-UHFFFAOYSA-N is COc1c(Nc2nc3ccc(-c4ccc(C(=O)NCc5ccc(F)cc5)cc4)cn3n2)ccc(C(N)=O)c1CC(F)F.
What is the InChIKey of UBSWCPQTZJVVGC-UHFFFAOYSA-N?
The InChIKey is UBSWCPQTZJVVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O3/c1-42-27-23(14-25(32)33)22(28(34)40)11-12-24(27)36-30-37-26-13-8-20(16-39(26)38-30)18-4-6-19(7-5-18)29(41)35-15-17-2-9-21(31)10-3-17/h2-13,16,25H,14-15H2,1H3,(H2,34,40)(H,35,41)(H,36,38).
What are the key properties of UBSWCPQTZJVVGC-UHFFFAOYSA-N?
UBSWCPQTZJVVGC-UHFFFAOYSA-N has a molecular weight of 574.56 g/mol, XLogP of 5.12, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for UBSWCPQTZJVVGC-UHFFFAOYSA-N is sourced from PubChem (CID 151976312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.