3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide

C29H29ClN4O2S — CID 22423558

IUPAC3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2c(C)nc3sc(C(=O)NC4CCCC4)c(N)c3c2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C29H29ClN4O2S/c1-15-8-13-21(16(2)14-15)34-27(35)22-17(3)32-29-24(23(22)18-9-11-19(30)12-10-18)25(31)26(37-29)28(36)33-20-6-4-5-7-20/h8-14,20H,4-7,31H2,1-3H3,(H,33,36)(H,34,35)
InChIKeyABTZPQYYQLHBFV-UHFFFAOYSA-N
MW533.10 g/mol
LogP7.05
Rot. Bonds5

About 3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide

3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide (PubChem CID 22423558) has the molecular formula C29H29ClN4O2S and a molecular weight of 533.10 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
PubChem CID22423558
Molecular FormulaC29H29ClN4O2S
Molecular Weight533.10 g/mol
Exact Mass532.17
IUPAC Name3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2c(C)nc3sc(C(=O)NC4CCCC4)c(N)c3c2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C29H29ClN4O2S/c1-15-8-13-21(16(2)14-15)34-27(35)22-17(3)32-29-24(23(22)18-9-11-19(30)12-10-18)25(31)26(37-29)28(36)33-20-6-4-5-7-20/h8-14,20H,4-7,31H2,1-3H3,(H,33,36)(H,34,35)
InChIKeyABTZPQYYQLHBFV-UHFFFAOYSA-N
XLogP7.05
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.10
LogP ≤ 57.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-(4-bromophenyl)-2-N-cyclohexyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
CID 46506315
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-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
ethyl 3-amino-5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-4-(3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 46506347
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-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
1-[3-amino-4-(4-chlorophenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 9499494
3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 53382542
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53382481

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide (CID 22423558) is 3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide is Cc1ccc(NC(=O)c2c(C)nc3sc(C(=O)NC4CCCC4)c(N)c3c2-c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide?
The InChIKey is ABTZPQYYQLHBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O2S/c1-15-8-13-21(16(2)14-15)34-27(35)22-17(3)32-29-24(23(22)18-9-11-19(30)12-10-18)25(31)26(37-29)28(36)33-20-6-4-5-7-20/h8-14,20H,4-7,31H2,1-3H3,(H,33,36)(H,34,35).
What are the key properties of 3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide?
3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide has a molecular weight of 533.10 g/mol, XLogP of 7.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chlorophenyl)-2-N-cyclopentyl-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 22423558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).