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

C29H29ClN4O3S — CID 94850862

IUPAC3-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
SMILESCc1ccc(NC(=O)c2c(C)nc3sc(C(=O)NC[C@H]4CCCO4)c(N)c3c2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C29H29ClN4O3S/c1-15-6-11-21(16(2)13-15)34-27(35)22-17(3)33-29-24(23(22)18-7-9-19(30)10-8-18)25(31)26(38-29)28(36)32-14-20-5-4-12-37-20/h6-11,13,20H,4-5,12,14,31H2,1-3H3,(H,32,36)(H,34,35)/t20-/m1/s1
InChIKeyUKHATBNTRCVDTN-HXUWFJFHSA-N
MW549.10 g/mol
LogP6.29
Rot. Bonds6

About 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

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 (PubChem CID 94850862) has the molecular formula C29H29ClN4O3S and a molecular weight of 549.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID94850862
Molecular FormulaC29H29ClN4O3S
Molecular Weight549.10 g/mol
Exact Mass548.16
IUPAC Name3-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
SMILESCc1ccc(NC(=O)c2c(C)nc3sc(C(=O)NC[C@H]4CCCO4)c(N)c3c2-c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C29H29ClN4O3S/c1-15-6-11-21(16(2)13-15)34-27(35)22-17(3)33-29-24(23(22)18-7-9-19(30)10-8-18)25(31)26(38-29)28(36)32-14-20-5-4-12-37-20/h6-11,13,20H,4-5,12,14,31H2,1-3H3,(H,32,36)(H,34,35)/t20-/m1/s1
InChIKeyUKHATBNTRCVDTN-HXUWFJFHSA-N
XLogP6.29
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.10
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 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

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-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-b]pyridine-2,5-dicarboxamide
CID 22423559
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-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997927
3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096195
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
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
ethyl 3-amino-5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-4-(3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxylate
CID 46506347
8-methyl-3-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-c]quinoline-2-carboxamide
CID 94073763
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
1-[3-amino-4-(4-chlorophenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 9499494

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(NC(=O)c2c(C)nc3sc(C(=O)NC[C@H]4CCCO4)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-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide?
The InChIKey is UKHATBNTRCVDTN-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H29ClN4O3S/c1-15-6-11-21(16(2)13-15)34-27(35)22-17(3)33-29-24(23(22)18-7-9-19(30)10-8-18)25(31)26(38-29)28(36)32-14-20-5-4-12-37-20/h6-11,13,20H,4-5,12,14,31H2,1-3H3,(H,32,36)(H,34,35)/t20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 549.10 g/mol, XLogP of 6.29, 6 rotatable bonds, 3 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-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 94850862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).