6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

C26H18F5N5O3S2 — CID 19265664

IUPAC6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5cccc(C(F)(F)F)c5)n4)c23)s1
InChIInChI=1S/C26H18F5N5O3S2/c1-12-5-6-18(40-12)15-10-17(22(27)28)33-25-19(15)20(21(41-25)23(32)37)34-24(38)16-7-8-36(35-16)11-39-14-4-2-3-13(9-14)26(29,30)31/h2-10,22H,11H2,1H3,(H2,32,37)(H,34,38)
InChIKeyXGZAGIXQMFWQTG-UHFFFAOYSA-N
MW607.59 g/mol
LogP6.87
Rot. Bonds8

About 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19265664) has the molecular formula C26H18F5N5O3S2 and a molecular weight of 607.59 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19265664
Molecular FormulaC26H18F5N5O3S2
Molecular Weight607.59 g/mol
Exact Mass607.08
IUPAC Name6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5cccc(C(F)(F)F)c5)n4)c23)s1
InChIInChI=1S/C26H18F5N5O3S2/c1-12-5-6-18(40-12)15-10-17(22(27)28)33-25-19(15)20(21(41-25)23(32)37)34-24(38)16-7-8-36(35-16)11-39-14-4-2-3-13(9-14)26(29,30)31/h2-10,22H,11H2,1H3,(H2,32,37)(H,34,38)
InChIKeyXGZAGIXQMFWQTG-UHFFFAOYSA-N
XLogP6.87
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.59
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-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-(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-[(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
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4773992
4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 59489550
2-(5-methoxythiophen-2-yl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045107
5-amino-N-[[6-(difluoromethoxy)pyridin-3-yl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777279
N-[(3-fluoro-4-methoxyphenyl)methyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 117916983
2,5-dimethyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 132054606
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 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19265664) is 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5cccc(C(F)(F)F)c5)n4)c23)s1.
What is the InChIKey of 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XGZAGIXQMFWQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F5N5O3S2/c1-12-5-6-18(40-12)15-10-17(22(27)28)33-25-19(15)20(21(41-25)23(32)37)34-24(38)16-7-8-36(35-16)11-39-14-4-2-3-13(9-14)26(29,30)31/h2-10,22H,11H2,1H3,(H2,32,37)(H,34,38).
What are the key properties of 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 607.59 g/mol, XLogP of 6.87, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(5-methylthiophen-2-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19265664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).