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

C25H20F3N7O3S — CID 19509903

IUPAC4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5cnn(C)c5C)c34)[nH]n2)c1
InChIInChI=1S/C25H20F3N7O3S/c1-11-15(10-30-35(11)2)14-8-18(25(26,27)28)31-24-19(14)20(21(39-24)22(29)36)32-23(37)17-9-16(33-34-17)12-5-4-6-13(7-12)38-3/h4-10H,1-3H3,(H2,29,36)(H,32,37)(H,33,34)
InChIKeyNZJJOPPFVFGURE-UHFFFAOYSA-N
MW555.54 g/mol
LogP4.77
Rot. Bonds6

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

4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19509903) has the molecular formula C25H20F3N7O3S and a molecular weight of 555.54 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19509903
Molecular FormulaC25H20F3N7O3S
Molecular Weight555.54 g/mol
Exact Mass555.13
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5cnn(C)c5C)c34)[nH]n2)c1
InChIInChI=1S/C25H20F3N7O3S/c1-11-15(10-30-35(11)2)14-8-18(25(26,27)28)31-24-19(14)20(21(39-24)22(29)36)32-23(37)17-9-16(33-34-17)12-5-4-6-13(7-12)38-3/h4-10H,1-3H3,(H2,29,36)(H,32,37)(H,33,34)
InChIKeyNZJJOPPFVFGURE-UHFFFAOYSA-N
XLogP4.77
TPSA140.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.54
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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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-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
N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-4-methyl-2-[3-(methylcarbamoyl)-1H-indazol-6-yl]-1,3-thiazole-5-carboxamide
CID 156212782

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-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-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 19509903) is 4-(1,5-dimethylpyrazol-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-(1,5-dimethylpyrazol-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-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is COc1cccc(-c2cc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)(F)F)cc(-c5cnn(C)c5C)c34)[nH]n2)c1.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NZJJOPPFVFGURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7O3S/c1-11-15(10-30-35(11)2)14-8-18(25(26,27)28)31-24-19(14)20(21(39-24)22(29)36)32-23(37)17-9-16(33-34-17)12-5-4-6-13(7-12)38-3/h4-10H,1-3H3,(H2,29,36)(H,32,37)(H,33,34).
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
4-(1,5-dimethylpyrazol-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 555.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-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 19509903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).