6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C21H16F2N6O4S — CID 19522540

IUPAC6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c([N+](=O)[O-])cnn1CC(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(-c3ccccc3)c12
InChIInChI=1S/C21H16F2N6O4S/c1-10-14(29(32)33)8-25-28(10)9-15(30)27-17-16-12(11-5-3-2-4-6-11)7-13(19(22)23)26-21(16)34-18(17)20(24)31/h2-8,19H,9H2,1H3,(H2,24,31)(H,27,30)
InChIKeyUPWGIBYOLHXEAE-UHFFFAOYSA-N
MW486.46 g/mol
LogP4.05
Rot. Bonds7

About 6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19522540) has the molecular formula C21H16F2N6O4S and a molecular weight of 486.46 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID19522540
Molecular FormulaC21H16F2N6O4S
Molecular Weight486.46 g/mol
Exact Mass486.09
IUPAC Name6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c([N+](=O)[O-])cnn1CC(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(-c3ccccc3)c12
InChIInChI=1S/C21H16F2N6O4S/c1-10-14(29(32)33)8-25-28(10)9-15(30)27-17-16-12(11-5-3-2-4-6-11)7-13(19(22)23)26-21(16)34-18(17)20(24)31/h2-8,19H,9H2,1H3,(H2,24,31)(H,27,30)
InChIKeyUPWGIBYOLHXEAE-UHFFFAOYSA-N
XLogP4.05
TPSA146.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-3-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19524341
3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19517532
6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19569930
6-(difluoromethyl)-3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4-(1-ethyl-5-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19515859
6-(difluoromethyl)-3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19515882
4-cyclopropyl-6-(difluoromethyl)-3-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19568164
3-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-(difluoromethyl)-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19529808
6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-3-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19522366
3-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19529533
6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19478530
3-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19520773
6-(difluoromethyl)-4-(furan-2-yl)-3-[2-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19539286

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 19522540) is 6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is Cc1c([N+](=O)[O-])cnn1CC(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(-c3ccccc3)c12.
What is the InChIKey of 6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UPWGIBYOLHXEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O4S/c1-10-14(29(32)33)8-25-28(10)9-15(30)27-17-16-12(11-5-3-2-4-6-11)7-13(19(22)23)26-21(16)34-18(17)20(24)31/h2-8,19H,9H2,1H3,(H2,24,31)(H,27,30).
What are the key properties of 6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 486.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19522540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).