N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C26H22F4N6O — CID 162444793

IUPACN-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCC(C)n1cc(-c2cc(F)c3[nH]cc(NC(=O)c4cnn(Cc5ccc(C(F)(F)F)cc5)c4)c3c2)cn1
InChIInChI=1S/C26H22F4N6O/c1-15(2)36-14-18(9-33-36)17-7-21-23(11-31-24(21)22(27)8-17)34-25(37)19-10-32-35(13-19)12-16-3-5-20(6-4-16)26(28,29)30/h3-11,13-15,31H,12H2,1-2H3,(H,34,37)
InChIKeyUROSXAGJTXUNSP-UHFFFAOYSA-N
MW510.50 g/mol
LogP6.27
Rot. Bonds6

About N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 162444793) has the molecular formula C26H22F4N6O and a molecular weight of 510.50 g/mol. Its IUPAC name is N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID162444793
Molecular FormulaC26H22F4N6O
Molecular Weight510.50 g/mol
Exact Mass510.18
IUPAC NameN-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCC(C)n1cc(-c2cc(F)c3[nH]cc(NC(=O)c4cnn(Cc5ccc(C(F)(F)F)cc5)c4)c3c2)cn1
InChIInChI=1S/C26H22F4N6O/c1-15(2)36-14-18(9-33-36)17-7-21-23(11-31-24(21)22(27)8-17)34-25(37)19-10-32-35(13-19)12-16-3-5-20(6-4-16)26(28,29)30/h3-11,13-15,31H,12H2,1-2H3,(H,34,37)
InChIKeyUROSXAGJTXUNSP-UHFFFAOYSA-N
XLogP6.27
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.50
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 162444749
N-(5,6-difluoro-1H-indol-3-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678285
methyl 2-fluoro-4-[3-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]-1H-indol-5-yl]benzoate
CID 162444706
1-benzyl-N-[5-[4-[2-(dimethylamino)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 156576917
1-benzyl-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71679960
N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
CID 170336720
N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]-2H-triazole-4-carboxamide
CID 166951469
(2,5-dioxopyrrolidin-1-yl) 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylate
CID 170758594
N-[3-(1-propan-2-ylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 159922683
N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 175432226
1-benzyl-N-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71680467

Frequently Asked Questions

What is the IUPAC name of N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 162444793) is N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is CC(C)n1cc(-c2cc(F)c3[nH]cc(NC(=O)c4cnn(Cc5ccc(C(F)(F)F)cc5)c4)c3c2)cn1.
What is the InChIKey of N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is UROSXAGJTXUNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N6O/c1-15(2)36-14-18(9-33-36)17-7-21-23(11-31-24(21)22(27)8-17)34-25(37)19-10-32-35(13-19)12-16-3-5-20(6-4-16)26(28,29)30/h3-11,13-15,31H,12H2,1-2H3,(H,34,37).
What are the key properties of N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 510.50 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 162444793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).