3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C26H18F3N5O3S — CID 19509831

IUPAC3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccccc5)c34)[nH]n2)c1
InChIInChI=1S/C26H18F3N5O3S/c1-37-15-9-5-8-14(10-15)17-12-18(34-33-17)24(36)32-21-20-16(13-6-3-2-4-7-13)11-19(26(27,28)29)31-25(20)38-22(21)23(30)35/h2-12H,1H3,(H2,30,35)(H,32,36)(H,33,34)
InChIKeyGGTKCCVFRAAANB-UHFFFAOYSA-N
MW537.52 g/mol
LogP5.73
Rot. Bonds6

About 3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19509831) has the molecular formula C26H18F3N5O3S and a molecular weight of 537.52 g/mol. Its IUPAC name is 3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19509831
Molecular FormulaC26H18F3N5O3S
Molecular Weight537.52 g/mol
Exact Mass537.11
IUPAC Name3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccccc5)c34)[nH]n2)c1
InChIInChI=1S/C26H18F3N5O3S/c1-37-15-9-5-8-14(10-15)17-12-18(34-33-17)24(36)32-21-20-16(13-6-3-2-4-7-13)11-19(26(27,28)29)31-25(20)38-22(21)23(30)35/h2-12H,1H3,(H2,30,35)(H,32,36)(H,33,34)
InChIKeyGGTKCCVFRAAANB-UHFFFAOYSA-N
XLogP5.73
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.52
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19514263
3-[[3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(4-methylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19510140
3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19509458
6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 4776641
3-[(4,5-dibromo-1H-pyrazole-3-carbonyl)amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19508624
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19266886
3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19452776
3-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19281410
3-[[4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19481713
3-[[5-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19466380
3-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]-4-(4-methylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19467379
4-(4-methylphenyl)-3-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19412970

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19509831) is 3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5ccccc5)c34)[nH]n2)c1.
What is the InChIKey of 3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GGTKCCVFRAAANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O3S/c1-37-15-9-5-8-14(10-15)17-12-18(34-33-17)24(36)32-21-20-16(13-6-3-2-4-7-13)11-19(26(27,28)29)31-25(20)38-22(21)23(30)35/h2-12H,1H3,(H2,30,35)(H,32,36)(H,33,34).
What are the key properties of 3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 537.52 g/mol, XLogP of 5.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19509831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).