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

C27H22F5N7O3S — CID 19265633

IUPAC6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ncc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5cccc(C(F)(F)F)c5)n4)c23)c1C
InChIInChI=1S/C27H22F5N7O3S/c1-3-39-13(2)17(11-34-39)16-10-19(23(28)29)35-26-20(16)21(22(43-26)24(33)40)36-25(41)18-7-8-38(37-18)12-42-15-6-4-5-14(9-15)27(30,31)32/h4-11,23H,3,12H2,1-2H3,(H2,33,40)(H,36,41)
InChIKeyYPQRRNLFOWRHIJ-UHFFFAOYSA-N
MW619.58 g/mol
LogP6.03
Rot. Bonds9

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

6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19265633) has the molecular formula C27H22F5N7O3S and a molecular weight of 619.58 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19265633
Molecular FormulaC27H22F5N7O3S
Molecular Weight619.58 g/mol
Exact Mass619.14
IUPAC Name6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCn1ncc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5cccc(C(F)(F)F)c5)n4)c23)c1C
InChIInChI=1S/C27H22F5N7O3S/c1-3-39-13(2)17(11-34-39)16-10-19(23(28)29)35-26-20(16)21(22(43-26)24(33)40)36-25(41)18-7-8-38(37-18)12-42-15-6-4-5-14(9-15)27(30,31)32/h4-11,23H,3,12H2,1-2H3,(H2,33,40)(H,36,41)
InChIKeyYPQRRNLFOWRHIJ-UHFFFAOYSA-N
XLogP6.03
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.58
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-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-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 6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-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-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19265633) is 6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-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-(1-ethyl-5-methylpyrazol-4-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-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is CCn1ncc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccn(COc5cccc(C(F)(F)F)c5)n4)c23)c1C.
What is the InChIKey of 6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YPQRRNLFOWRHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F5N7O3S/c1-3-39-13(2)17(11-34-39)16-10-19(23(28)29)35-26-20(16)21(22(43-26)24(33)40)36-25(41)18-7-8-38(37-18)12-42-15-6-4-5-14(9-15)27(30,31)32/h4-11,23H,3,12H2,1-2H3,(H2,33,40)(H,36,41).
What are the key properties of 6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 619.58 g/mol, XLogP of 6.03, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19265633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).