2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide

C23H22ClF3N6O3 — CID 167446878

IUPAC2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(-n2nc(C(F)(F)F)cc2Nc2ccc3[nH]ncc3c2Cl)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C23H22ClF3N6O3/c1-12(2)29-21(34)11-36-17-7-4-13(8-18(17)35-3)33-20(9-19(32-33)23(25,26)27)30-16-6-5-15-14(22(16)24)10-28-31-15/h4-10,12,30H,11H2,1-3H3,(H,28,31)(H,29,34)
InChIKeyKQVOMLLYUDVUAV-UHFFFAOYSA-N
MW522.92 g/mol
LogP5.08
Rot. Bonds8

About 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide

2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide (PubChem CID 167446878) has the molecular formula C23H22ClF3N6O3 and a molecular weight of 522.92 g/mol. Its IUPAC name is 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
PubChem CID167446878
Molecular FormulaC23H22ClF3N6O3
Molecular Weight522.92 g/mol
Exact Mass522.14
IUPAC Name2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(-n2nc(C(F)(F)F)cc2Nc2ccc3[nH]ncc3c2Cl)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C23H22ClF3N6O3/c1-12(2)29-21(34)11-36-17-7-4-13(8-18(17)35-3)33-20(9-19(32-33)23(25,26)27)30-16-6-5-15-14(22(16)24)10-28-31-15/h4-10,12,30H,11H2,1-3H3,(H,28,31)(H,29,34)
InChIKeyKQVOMLLYUDVUAV-UHFFFAOYSA-N
XLogP5.08
TPSA106.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.92
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365751
2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide
CID 139365834
2-[3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 139365738
2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 139481726
2-[4-[5-[[2-[2-[[2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenoxy]acetyl]amino]propyl]-1H-indazol-2-ium-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 153329098
3-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]propanoic acid
CID 175049616
N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774547
N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 167637943
2-[3-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3-cyanophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3-methylphenoxy]-N-propan-2-ylacetamide
CID 167674719
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365719
2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-pyrrolidin-3-ylacetamide
CID 159331905
2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(3-hydroxycyclobutyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(2-hydroxycyclohexyl)acetamide
CID 159288701

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide (CID 167446878) is 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide is COc1cc(-n2nc(C(F)(F)F)cc2Nc2ccc3[nH]ncc3c2Cl)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The InChIKey is KQVOMLLYUDVUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N6O3/c1-12(2)29-21(34)11-36-17-7-4-13(8-18(17)35-3)33-20(9-19(32-33)23(25,26)27)30-16-6-5-15-14(22(16)24)10-28-31-15/h4-10,12,30H,11H2,1-3H3,(H,28,31)(H,29,34).
What are the key properties of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide has a molecular weight of 522.92 g/mol, XLogP of 5.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 167446878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).