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

C18H14F5N5O2S — CID 19267743

IUPAC4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1nc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C4CC4)c23)cc1C(F)(F)F
InChIInChI=1S/C18H14F5N5O2S/c1-28-10(18(21,22)23)5-9(27-28)16(30)26-12-11-7(6-2-3-6)4-8(14(19)20)25-17(11)31-13(12)15(24)29/h4-6,14H,2-3H2,1H3,(H2,24,29)(H,26,30)
InChIKeyJESKTPFGXGVUCV-UHFFFAOYSA-N
MW459.40 g/mol
LogP4.21
Rot. Bonds5

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

4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19267743) has the molecular formula C18H14F5N5O2S and a molecular weight of 459.40 g/mol. Its IUPAC name is 4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19267743
Molecular FormulaC18H14F5N5O2S
Molecular Weight459.40 g/mol
Exact Mass459.08
IUPAC Name4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCn1nc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C4CC4)c23)cc1C(F)(F)F
InChIInChI=1S/C18H14F5N5O2S/c1-28-10(18(21,22)23)5-9(27-28)16(30)26-12-11-7(6-2-3-6)4-8(14(19)20)25-17(11)31-13(12)15(24)29/h4-6,14H,2-3H2,1H3,(H2,24,29)(H,26,30)
InChIKeyJESKTPFGXGVUCV-UHFFFAOYSA-N
XLogP4.21
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-6-(difluoromethyl)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19474086
3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 19447444
4-methyl-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19267686
3-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19447520
3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19477347
3-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19479390
4-cyclopropyl-6-(difluoromethyl)-3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 135803214
3-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19273837
4-cyclopropyl-6-(difluoromethyl)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19276310
4-cyclopropyl-6-(difluoromethyl)-3-[[1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19277235
4-cyclopropyl-6-(difluoromethyl)-3-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19414346
3-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-4-cyclopropyl-6-(difluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19564406

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19267743) is 4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is Cn1nc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C4CC4)c23)cc1C(F)(F)F.
What is the InChIKey of 4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JESKTPFGXGVUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N5O2S/c1-28-10(18(21,22)23)5-9(27-28)16(30)26-12-11-7(6-2-3-6)4-8(14(19)20)25-17(11)31-13(12)15(24)29/h4-6,14H,2-3H2,1H3,(H2,24,29)(H,26,30).
What are the key properties of 4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 459.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(difluoromethyl)-3-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19267743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).