4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C24H24F3N7O2 — CID 139365925

IUPAC4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Nc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C24H24F3N7O2/c1-3-34-23(30-18-9-8-17-16(11-29-32-17)20(18)13-4-5-13)31-21(33-34)14-6-7-15(19(10-14)36-2)22(35)28-12-24(25,26)27/h6-11,13H,3-5,12H2,1-2H3,(H,28,35)(H,29,32)(H,30,31,33)
InChIKeyVCJMYYOJXFPQSY-UHFFFAOYSA-N
MW499.50 g/mol
LogP4.76
Rot. Bonds8

About 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 139365925) has the molecular formula C24H24F3N7O2 and a molecular weight of 499.50 g/mol. Its IUPAC name is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID139365925
Molecular FormulaC24H24F3N7O2
Molecular Weight499.50 g/mol
Exact Mass499.19
IUPAC Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Nc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C24H24F3N7O2/c1-3-34-23(30-18-9-8-17-16(11-29-32-17)20(18)13-4-5-13)31-21(33-34)14-6-7-15(19(10-14)36-2)22(35)28-12-24(25,26)27/h6-11,13H,3-5,12H2,1-2H3,(H,28,35)(H,29,32)(H,30,31,33)
InChIKeyVCJMYYOJXFPQSY-UHFFFAOYSA-N
XLogP4.76
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide 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-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 139365925) is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide is CCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(OC)c2)nc1Nc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VCJMYYOJXFPQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O2/c1-3-34-23(30-18-9-8-17-16(11-29-32-17)20(18)13-4-5-13)31-21(33-34)14-6-7-15(19(10-14)36-2)22(35)28-12-24(25,26)27/h6-11,13H,3-5,12H2,1-2H3,(H,28,35)(H,29,32)(H,30,31,33).
What are the key properties of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 499.50 g/mol, XLogP of 4.76, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-ethyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 139365925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).