2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide

C27H23Cl2F2N7O3 — CID 135205643

IUPAC2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide
SMILESCCC(C(=O)Nc1ccc2nn(CC(F)F)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O
InChIInChI=1S/C27H23Cl2F2N7O3/c1-3-21(27(40)32-17-5-6-20-15(8-17)11-36(34-20)14-25(30)31)37-12-23(41-2)19(10-26(37)39)18-9-16(28)4-7-22(18)38-13-24(29)33-35-38/h4-13,21,25H,3,14H2,1-2H3,(H,32,40)
InChIKeyGTOBEZUWBRGMLK-UHFFFAOYSA-N
MW602.43 g/mol
LogP5.62
Rot. Bonds9

About 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide

2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide (PubChem CID 135205643) has the molecular formula C27H23Cl2F2N7O3 and a molecular weight of 602.43 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide
PubChem CID135205643
Molecular FormulaC27H23Cl2F2N7O3
Molecular Weight602.43 g/mol
Exact Mass601.12
IUPAC Name2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide
SMILESCCC(C(=O)Nc1ccc2nn(CC(F)F)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O
InChIInChI=1S/C27H23Cl2F2N7O3/c1-3-21(27(40)32-17-5-6-20-15(8-17)11-36(34-20)14-25(30)31)37-12-23(41-2)19(10-26(37)39)18-9-16(28)4-7-22(18)38-13-24(29)33-35-38/h4-13,21,25H,3,14H2,1-2H3,(H,32,40)
InChIKeyGTOBEZUWBRGMLK-UHFFFAOYSA-N
XLogP5.62
TPSA108.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide 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 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide?
The IUPAC name of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide (CID 135205643) is 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide?
The canonical SMILES for 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide is CCC(C(=O)Nc1ccc2nn(CC(F)F)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cc(Cl)nn2)cc1=O.
What is the InChIKey of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide?
The InChIKey is GTOBEZUWBRGMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2F2N7O3/c1-3-21(27(40)32-17-5-6-20-15(8-17)11-36(34-20)14-25(30)31)37-12-23(41-2)19(10-26(37)39)18-9-16(28)4-7-22(18)38-13-24(29)33-35-38/h4-13,21,25H,3,14H2,1-2H3,(H,32,40).
What are the key properties of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide?
2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide has a molecular weight of 602.43 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(2,2-difluoroethyl)indazol-5-yl]butanamide is sourced from PubChem (CID 135205643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).