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

C26H20F3N7O2 — CID 164619493

IUPACN-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5cccnc5)n[nH]c4c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C26H20F3N7O2/c1-15-4-6-19(10-21(15)26(27,28)29)32-23(37)14-36-13-18(12-31-36)16-5-7-20-22(9-16)34-35-24(20)33-25(38)17-3-2-8-30-11-17/h2-13H,14H2,1H3,(H,32,37)(H2,33,34,35,38)
InChIKeyLNSYNFKGAXNAKD-UHFFFAOYSA-N
MW519.49 g/mol
LogP5.04
Rot. Bonds6

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

N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide (PubChem CID 164619493) has the molecular formula C26H20F3N7O2 and a molecular weight of 519.49 g/mol. Its IUPAC name is N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide
PubChem CID164619493
Molecular FormulaC26H20F3N7O2
Molecular Weight519.49 g/mol
Exact Mass519.16
IUPAC NameN-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5cccnc5)n[nH]c4c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C26H20F3N7O2/c1-15-4-6-19(10-21(15)26(27,28)29)32-23(37)14-36-13-18(12-31-36)16-5-7-20-22(9-16)34-35-24(20)33-25(38)17-3-2-8-30-11-17/h2-13H,14H2,1H3,(H,32,37)(H2,33,34,35,38)
InChIKeyLNSYNFKGAXNAKD-UHFFFAOYSA-N
XLogP5.04
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.49
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide (CID 164619493) is N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide is Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(NC(=O)c5cccnc5)n[nH]c4c3)cn2)cc1C(F)(F)F.
What is the InChIKey of N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide?
The InChIKey is LNSYNFKGAXNAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N7O2/c1-15-4-6-19(10-21(15)26(27,28)29)32-23(37)14-36-13-18(12-31-36)16-5-7-20-22(9-16)34-35-24(20)33-25(38)17-3-2-8-30-11-17/h2-13H,14H2,1H3,(H,32,37)(H2,33,34,35,38).
What are the key properties of N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide?
N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide has a molecular weight of 519.49 g/mol, XLogP of 5.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 164619493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).