N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide

C21H16F5N5O2 — CID 175432226

IUPACN-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(Cn2cc(C(=O)Nc3c[nH]c4cc(F)c(F)cc34)cn2)cnc1OC(F)C(F)F
InChIInChI=1S/C21H16F5N5O2/c1-10-2-11(5-28-21(10)33-19(26)18(24)25)8-31-9-12(6-29-31)20(32)30-17-7-27-16-4-15(23)14(22)3-13(16)17/h2-7,9,18-19,27H,8H2,1H3,(H,30,32)
InChIKeyXXAXYIZHOKUVFE-UHFFFAOYSA-N
MW465.38 g/mol
LogP4.59
Rot. Bonds7

About N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 175432226) has the molecular formula C21H16F5N5O2 and a molecular weight of 465.38 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID175432226
Molecular FormulaC21H16F5N5O2
Molecular Weight465.38 g/mol
Exact Mass465.12
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(Cn2cc(C(=O)Nc3c[nH]c4cc(F)c(F)cc34)cn2)cnc1OC(F)C(F)F
InChIInChI=1S/C21H16F5N5O2/c1-10-2-11(5-28-21(10)33-19(26)18(24)25)8-31-9-12(6-29-31)20(32)30-17-7-27-16-4-15(23)14(22)3-13(16)17/h2-7,9,18-19,27H,8H2,1H3,(H,30,32)
InChIKeyXXAXYIZHOKUVFE-UHFFFAOYSA-N
XLogP4.59
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
N-(5,6-difluoro-1H-indol-3-yl)-2-(1-hydroxypropyl)pyridine-4-carboxamide
CID 162445208
6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide
CID 170068393
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)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 162444793
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
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-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678285
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
CID 154652719
N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
CID 162444765
1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678969

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 175432226) is N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide is Cc1cc(Cn2cc(C(=O)Nc3c[nH]c4cc(F)c(F)cc34)cn2)cnc1OC(F)C(F)F.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is XXAXYIZHOKUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F5N5O2/c1-10-2-11(5-28-21(10)33-19(26)18(24)25)8-31-9-12(6-29-31)20(32)30-17-7-27-16-4-15(23)14(22)3-13(16)17/h2-7,9,18-19,27H,8H2,1H3,(H,30,32).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 465.38 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-1-[[5-methyl-6-(1,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 175432226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).