6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide

C20H19F2N7O2S — CID 19517013

IUPAC6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4cn(C)nc4C)c23)n1
InChIInChI=1S/C20H19F2N7O2S/c1-9-4-5-29(26-9)8-14(30)25-16-15-11(12-7-28(3)27-10(12)2)6-13(18(21)22)24-20(15)32-17(16)19(23)31/h4-7,18H,8H2,1-3H3,(H2,23,31)(H,25,30)
InChIKeyMAZWRBBUTOCRKX-UHFFFAOYSA-N
MW459.48 g/mol
LogP3.19
Rot. Bonds6

About 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19517013) has the molecular formula C20H19F2N7O2S and a molecular weight of 459.48 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID19517013
Molecular FormulaC20H19F2N7O2S
Molecular Weight459.48 g/mol
Exact Mass459.13
IUPAC Name6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4cn(C)nc4C)c23)n1
InChIInChI=1S/C20H19F2N7O2S/c1-9-4-5-29(26-9)8-14(30)25-16-15-11(12-7-28(3)27-10(12)2)6-13(18(21)22)24-20(15)32-17(16)19(23)31/h4-7,18H,8H2,1-3H3,(H2,23,31)(H,25,30)
InChIKeyMAZWRBBUTOCRKX-UHFFFAOYSA-N
XLogP3.19
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[3-(3-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19559479
6-(difluoromethyl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19517059
6-(difluoromethyl)-4-(furan-2-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19517057
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-(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-(4-iodo-3-methylpyrazol-1-yl)propanoylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 19550061
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
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
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-ethyl-5-methylpyrazol-4-yl)-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19530980
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-3,5-dimethylpyrazol-1-yl)propanoylamino]-6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19538010

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 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) is 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccn(CC(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(-c4cn(C)nc4C)c23)n1.
What is the InChIKey of 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MAZWRBBUTOCRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7O2S/c1-9-4-5-29(26-9)8-14(30)25-16-15-11(12-7-28(3)27-10(12)2)6-13(18(21)22)24-20(15)32-17(16)19(23)31/h4-7,18H,8H2,1-3H3,(H2,23,31)(H,25,30).
What are the key properties of 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide?
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19517013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).