2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide

C24H23F3N6O2 — CID 164618928

IUPAC2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)C(C)C)n[nH]c4c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C24H23F3N6O2/c1-13(2)23(35)30-22-18-7-5-15(8-20(18)31-32-22)16-10-28-33(11-16)12-21(34)29-17-6-4-14(3)19(9-17)24(25,26)27/h4-11,13H,12H2,1-3H3,(H,29,34)(H2,30,31,32,35)
InChIKeyWUVXAQPNGKTEAD-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.99
Rot. Bonds6

About 2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide

2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide (PubChem CID 164618928) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide
PubChem CID164618928
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC Name2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)C(C)C)n[nH]c4c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C24H23F3N6O2/c1-13(2)23(35)30-22-18-7-5-15(8-20(18)31-32-22)16-10-28-33(11-16)12-21(34)29-17-6-4-14(3)19(9-17)24(25,26)27/h4-11,13H,12H2,1-3H3,(H,29,34)(H2,30,31,32,35)
InChIKeyWUVXAQPNGKTEAD-UHFFFAOYSA-N
XLogP4.99
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide (CID 164618928) is 2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide is Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)C(C)C)n[nH]c4c3)cn2)cc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide?
The InChIKey is WUVXAQPNGKTEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-13(2)23(35)30-22-18-7-5-15(8-20(18)31-32-22)16-10-28-33(11-16)12-21(34)29-17-6-4-14(3)19(9-17)24(25,26)27/h4-11,13H,12H2,1-3H3,(H,29,34)(H2,30,31,32,35).
What are the key properties of 2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide?
2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide has a molecular weight of 484.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]propanamide is sourced from PubChem (CID 164618928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).