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

C27H21F6N7O3S — CID 19265661

IUPAC4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5cccc(C(F)(F)F)c5)n4)c23)c(C)n1
InChIInChI=1S/C27H21F6N7O3S/c1-3-39-11-17(13(2)37-39)16-10-19(27(31,32)33)35-25-20(16)21(22(44-25)23(34)41)36-24(42)18-7-8-40(38-18)12-43-15-6-4-5-14(9-15)26(28,29)30/h4-11H,3,12H2,1-2H3,(H2,34,41)(H,36,42)
InChIKeyDGXBUZSMNGKAKY-UHFFFAOYSA-N
MW637.57 g/mol
LogP6.11
Rot. Bonds8

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

4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19265661) has the molecular formula C27H21F6N7O3S and a molecular weight of 637.57 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19265661
Molecular FormulaC27H21F6N7O3S
Molecular Weight637.57 g/mol
Exact Mass637.13
IUPAC Name4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5cccc(C(F)(F)F)c5)n4)c23)c(C)n1
InChIInChI=1S/C27H21F6N7O3S/c1-3-39-11-17(13(2)37-39)16-10-19(27(31,32)33)35-25-20(16)21(22(44-25)23(34)41)36-24(42)18-7-8-40(38-18)12-43-15-6-4-5-14(9-15)26(28,29)30/h4-11H,3,12H2,1-2H3,(H2,34,41)(H,36,42)
InChIKeyDGXBUZSMNGKAKY-UHFFFAOYSA-N
XLogP6.11
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.57
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-6-(4-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1086315
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-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 124085686
5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 155553265
N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide
CID 134792332
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-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4773992
4-methyl-2-[1-(4-trifluoromethoxy-benzyl)-1H-pyrazol-3-yl]-thiazole-5-carboxylic acid (pyridin-3-ylmethyl)amide
CID 24951858
4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 59489550
4-(2,3-Difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66855052

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19265661) is 4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is CCn1cc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5cccc(C(F)(F)F)c5)n4)c23)c(C)n1.
What is the InChIKey of 4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is DGXBUZSMNGKAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F6N7O3S/c1-3-39-11-17(13(2)37-39)16-10-19(27(31,32)33)35-25-20(16)21(22(44-25)23(34)41)36-24(42)18-7-8-40(38-18)12-43-15-6-4-5-14(9-15)26(28,29)30/h4-11H,3,12H2,1-2H3,(H2,34,41)(H,36,42).
What are the key properties of 4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 637.57 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19265661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).