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

C26H22F3N7O3S — CID 19509895

IUPAC4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4cc(-c5cccc(OC)c5)n[nH]4)c23)c(C)n1
InChIInChI=1S/C26H22F3N7O3S/c1-4-36-11-16(12(2)35-36)15-9-19(26(27,28)29)31-25-20(15)21(22(40-25)23(30)37)32-24(38)18-10-17(33-34-18)13-6-5-7-14(8-13)39-3/h5-11H,4H2,1-3H3,(H2,30,37)(H,32,38)(H,33,34)
InChIKeyMAFDLXOFUJRWDK-UHFFFAOYSA-N
MW569.57 g/mol
LogP5.26
Rot. Bonds7

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

4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19509895) has the molecular formula C26H22F3N7O3S and a molecular weight of 569.57 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19509895
Molecular FormulaC26H22F3N7O3S
Molecular Weight569.57 g/mol
Exact Mass569.15
IUPAC Name4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4cc(-c5cccc(OC)c5)n[nH]4)c23)c(C)n1
InChIInChI=1S/C26H22F3N7O3S/c1-4-36-11-16(12(2)35-36)15-9-19(26(27,28)29)31-25-20(15)21(22(40-25)23(30)37)32-24(38)18-10-17(33-34-18)13-6-5-7-14(8-13)39-3/h5-11H,4H2,1-3H3,(H2,30,37)(H,32,38)(H,33,34)
InChIKeyMAFDLXOFUJRWDK-UHFFFAOYSA-N
XLogP5.26
TPSA140.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.57
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3240479
3-(3-methoxyphenyl)-1-methyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856300
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 60162759
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-phenyl-1,3-thiazole-4-carboxamide
CID 60163290
N-[1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60163535
N-[3-(furan-3-yl)-1H-indazol-5-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 155128864
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 124085686
2-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
CID 4766833
N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90354569
N-[(3-fluoro-4-methoxyphenyl)methyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 117916983
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 132081700
2-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]-9-methyl-7-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
CID 135636165

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19509895) is 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CCn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4cc(-c5cccc(OC)c5)n[nH]4)c23)c(C)n1.
What is the InChIKey of 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MAFDLXOFUJRWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7O3S/c1-4-36-11-16(12(2)35-36)15-9-19(26(27,28)29)31-25-20(15)21(22(40-25)23(30)37)32-24(38)18-10-17(33-34-18)13-6-5-7-14(8-13)39-3/h5-11H,4H2,1-3H3,(H2,30,37)(H,32,38)(H,33,34).
What are the key properties of 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 569.57 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19509895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).