N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C28H24F3N5O2 — CID 166325010

IUPACN-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(CN1CCc2ccccc21)Nc1ccc(CNC(=O)c2ccn(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C28H24F3N5O2/c29-28(30,31)21-7-11-23(12-8-21)36-16-14-24(34-36)27(38)32-17-19-5-9-22(10-6-19)33-26(37)18-35-15-13-20-3-1-2-4-25(20)35/h1-12,14,16H,13,15,17-18H2,(H,32,38)(H,33,37)
InChIKeyOGMHKANZKTWRTL-UHFFFAOYSA-N
MW519.53 g/mol
LogP4.82
Rot. Bonds7

About N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 166325010) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID166325010
Molecular FormulaC28H24F3N5O2
Molecular Weight519.53 g/mol
Exact Mass519.19
IUPAC NameN-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESO=C(CN1CCc2ccccc21)Nc1ccc(CNC(=O)c2ccn(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C28H24F3N5O2/c29-28(30,31)21-7-11-23(12-8-21)36-16-14-24(34-36)27(38)32-17-19-5-9-22(10-6-19)33-26(37)18-35-15-13-20-3-1-2-4-25(20)35/h1-12,14,16H,13,15,17-18H2,(H,32,38)(H,33,37)
InChIKeyOGMHKANZKTWRTL-UHFFFAOYSA-N
XLogP4.82
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.53
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 54817007
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CID 75461838
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 154835775
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 166219373
1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 71685669
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52583686
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007272

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 166325010) is N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is O=C(CN1CCc2ccccc21)Nc1ccc(CNC(=O)c2ccn(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is OGMHKANZKTWRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c29-28(30,31)21-7-11-23(12-8-21)36-16-14-24(34-36)27(38)32-17-19-5-9-22(10-6-19)33-26(37)18-35-15-13-20-3-1-2-4-25(20)35/h1-12,14,16H,13,15,17-18H2,(H,32,38)(H,33,37).
What are the key properties of N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 519.53 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166325010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).