6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C22H19F2N5O2S — CID 19569930

IUPAC6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnn1CCC(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(-c3ccccc3)c12
InChIInChI=1S/C22H19F2N5O2S/c1-12-7-9-26-29(12)10-8-16(30)28-18-17-14(13-5-3-2-4-6-13)11-15(20(23)24)27-22(17)32-19(18)21(25)31/h2-7,9,11,20H,8,10H2,1H3,(H2,25,31)(H,28,30)
InChIKeyYXMBBZPIXYDOLL-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.53
Rot. Bonds7

About 6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19569930) has the molecular formula C22H19F2N5O2S and a molecular weight of 455.49 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID19569930
Molecular FormulaC22H19F2N5O2S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC Name6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnn1CCC(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(-c3ccccc3)c12
InChIInChI=1S/C22H19F2N5O2S/c1-12-7-9-26-29(12)10-8-16(30)28-18-17-14(13-5-3-2-4-6-13)11-15(20(23)24)27-22(17)32-19(18)21(25)31/h2-7,9,11,20H,8,10H2,1H3,(H2,25,31)(H,28,30)
InChIKeyYXMBBZPIXYDOLL-UHFFFAOYSA-N
XLogP4.53
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(difluoromethyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19557663
6-(difluoromethyl)-3-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19522540
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)-4-(5-methylthiophen-2-yl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19563767
3-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19266239
6-(difluoromethyl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19559829
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
6-(difluoromethyl)-3-[(1-ethylpyrazole-3-carbonyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19262276
6-(difluoromethyl)-3-[(3,5-dimethoxybenzoyl)amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 4776641
3-[2-(4-bromopyrazol-1-yl)butanoylamino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19551383
6-(difluoromethyl)-3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-4-(1,5-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19519613
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19559783

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 19569930) is 6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccnn1CCC(=O)Nc1c(C(N)=O)sc2nc(C(F)F)cc(-c3ccccc3)c12.
What is the InChIKey of 6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YXMBBZPIXYDOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2S/c1-12-7-9-26-29(12)10-8-16(30)28-18-17-14(13-5-3-2-4-6-13)11-15(20(23)24)27-22(17)32-19(18)21(25)31/h2-7,9,11,20H,8,10H2,1H3,(H2,25,31)(H,28,30).
What are the key properties of 6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[3-(5-methylpyrazol-1-yl)propanoylamino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19569930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).