3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide

C28H25ClN6O2S — CID 22423559

IUPAC3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2c(C)nc3sc(C(=O)Nc4cc(C)[nH]n4)c(N)c3c2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C28H25ClN6O2S/c1-13-5-10-19(14(2)11-13)32-26(36)21-16(4)31-28-23(22(21)17-6-8-18(29)9-7-17)24(30)25(38-28)27(37)33-20-12-15(3)34-35-20/h5-12H,30H2,1-4H3,(H,32,36)(H2,33,34,35,37)
InChIKeyHPFNDCCBMKVURR-UHFFFAOYSA-N
MW545.07 g/mol
LogP6.66
Rot. Bonds5

About 3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide

3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide (PubChem CID 22423559) has the molecular formula C28H25ClN6O2S and a molecular weight of 545.07 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide
PubChem CID22423559
Molecular FormulaC28H25ClN6O2S
Molecular Weight545.07 g/mol
Exact Mass544.14
IUPAC Name3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2c(C)nc3sc(C(=O)Nc4cc(C)[nH]n4)c(N)c3c2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C28H25ClN6O2S/c1-13-5-10-19(14(2)11-13)32-26(36)21-16(4)31-28-23(22(21)17-6-8-18(29)9-7-17)24(30)25(38-28)27(37)33-20-12-15(3)34-35-20/h5-12H,30H2,1-4H3,(H,32,36)(H2,33,34,35,37)
InChIKeyHPFNDCCBMKVURR-UHFFFAOYSA-N
XLogP6.66
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.07
LogP ≤ 56.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
CID 22423558
3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide
CID 94850862
3-amino-4-(4-bromophenyl)-2-N-cyclohexyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
CID 46506315
ethyl 3-amino-5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-4-(3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 46506347
1-[3-amino-4-(4-chlorophenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 9499494
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-5-N-(2,4-dimethylphenyl)-2-N-(3-methoxypropyl)-6-methyl-4-(3-methylthiophen-2-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide
CID 22431153
3-amino-5-N-(2,4-dimethylphenyl)-6-methyl-4-(5-methylfuran-2-yl)-2-N-(2-phenylethyl)thieno[2,3-b]pyridine-2,5-dicarboxamide
CID 22431144
3-amino-6-(difluoromethyl)-N-(2,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 3621469
N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865070
2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 63822437

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide (CID 22423559) is 3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide is Cc1ccc(NC(=O)c2c(C)nc3sc(C(=O)Nc4cc(C)[nH]n4)c(N)c3c2-c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide?
The InChIKey is HPFNDCCBMKVURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN6O2S/c1-13-5-10-19(14(2)11-13)32-26(36)21-16(4)31-28-23(22(21)17-6-8-18(29)9-7-17)24(30)25(38-28)27(37)33-20-12-15(3)34-35-20/h5-12H,30H2,1-4H3,(H,32,36)(H2,33,34,35,37).
What are the key properties of 3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide?
3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide has a molecular weight of 545.07 g/mol, XLogP of 6.66, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 22423559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).