3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C25H16ClF2N5O2S — CID 19509458

IUPAC3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C25H16ClF2N5O2S/c26-14-8-6-13(7-9-14)16-11-18(33-32-16)24(35)31-20-19-15(12-4-2-1-3-5-12)10-17(22(27)28)30-25(19)36-21(20)23(29)34/h1-11,22H,(H2,29,34)(H,31,35)(H,32,33)
InChIKeyJGDNBPMLRIUVCX-UHFFFAOYSA-N
MW523.95 g/mol
LogP6.30
Rot. Bonds6

About 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide

3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19509458) has the molecular formula C25H16ClF2N5O2S and a molecular weight of 523.95 g/mol. Its IUPAC name is 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID19509458
Molecular FormulaC25H16ClF2N5O2S
Molecular Weight523.95 g/mol
Exact Mass523.07
IUPAC Name3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C25H16ClF2N5O2S/c26-14-8-6-13(7-9-14)16-11-18(33-32-16)24(35)31-20-19-15(12-4-2-1-3-5-12)10-17(22(27)28)30-25(19)36-21(20)23(29)34/h1-11,22H,(H2,29,34)(H,31,35)(H,32,33)
InChIKeyJGDNBPMLRIUVCX-UHFFFAOYSA-N
XLogP6.30
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.95
LogP ≤ 56.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19514263
3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509590
6-(difluoromethyl)-3-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19514703
3-[[3-(3,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19513783
6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 4776641
3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-phenyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509831
6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19262276
3-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19514349
3-[[3-(2,4-dichlorophenyl)-1H-pyrazole-5-carbonyl]amino]-4-(4-methylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19510140
6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19413138
3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19266239
6-(difluoromethyl)-3-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19453239

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 19509458) is 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JGDNBPMLRIUVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF2N5O2S/c26-14-8-6-13(7-9-14)16-11-18(33-32-16)24(35)31-20-19-15(12-4-2-1-3-5-12)10-17(22(27)28)30-25(19)36-21(20)23(29)34/h1-11,22H,(H2,29,34)(H,31,35)(H,32,33).
What are the key properties of 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 523.95 g/mol, XLogP of 6.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19509458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).