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

C20H18ClF2N7O2S — CID 19520773

IUPAC3-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)Cn3ncc(Cl)c3C)c12
InChIInChI=1S/C20H18ClF2N7O2S/c1-8-11(6-29(3)28-8)10-4-13(18(22)23)26-20-15(10)16(17(33-20)19(24)32)27-14(31)7-30-9(2)12(21)5-25-30/h4-6,18H,7H2,1-3H3,(H2,24,32)(H,27,31)
InChIKeySXAOIROSNPUCHX-UHFFFAOYSA-N
MW493.93 g/mol
LogP3.84
Rot. Bonds6

About 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

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 (PubChem CID 19520773) has the molecular formula C20H18ClF2N7O2S and a molecular weight of 493.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19520773
Molecular FormulaC20H18ClF2N7O2S
Molecular Weight493.93 g/mol
Exact Mass493.09
IUPAC Name3-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)Cn3ncc(Cl)c3C)c12
InChIInChI=1S/C20H18ClF2N7O2S/c1-8-11(6-29(3)28-8)10-4-13(18(22)23)26-20-15(10)16(17(33-20)19(24)32)27-14(31)7-30-9(2)12(21)5-25-30/h4-6,18H,7H2,1-3H3,(H2,24,32)(H,27,31)
InChIKeySXAOIROSNPUCHX-UHFFFAOYSA-N
XLogP3.84
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.93
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19477384
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19517013
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19524429
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19559783
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(3-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19559479
3-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538010
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-iodo-3-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19550061
6-(difluoromethyl)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-(1-ethyl-5-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19280609
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19539969
3-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19535581
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C)cc1-c1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)Cn3ncc(Cl)c3C)c12.
What is the InChIKey of 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?
The InChIKey is SXAOIROSNPUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N7O2S/c1-8-11(6-29(3)28-8)10-4-13(18(22)23)26-20-15(10)16(17(33-20)19(24)32)27-14(31)7-30-9(2)12(21)5-25-30/h4-6,18H,7H2,1-3H3,(H2,24,32)(H,27,31).
What are the key properties of 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?
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 has a molecular weight of 493.93 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 19520773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).