3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C22H26ClN5OS — CID 155560715

IUPAC3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN[C@@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2Cl)C1
InChIInChI=1S/C22H26ClN5OS/c1-13-3-5-16-19(24)20(30-22(16)27-13)21(29)26-9-7-14-4-6-18(17(23)11-14)28-10-8-15(12-28)25-2/h3-6,11,15,25H,7-10,12,24H2,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyLVJCIECXNXBMIJ-OAHLLOKOSA-N
MW444.00 g/mol
LogP3.61
Rot. Bonds6

About 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155560715) has the molecular formula C22H26ClN5OS and a molecular weight of 444.00 g/mol. Its IUPAC name is 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID155560715
Molecular FormulaC22H26ClN5OS
Molecular Weight444.00 g/mol
Exact Mass443.15
IUPAC Name3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCN[C@@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2Cl)C1
InChIInChI=1S/C22H26ClN5OS/c1-13-3-5-16-19(24)20(30-22(16)27-13)21(29)26-9-7-14-4-6-18(17(23)11-14)28-10-8-15(12-28)25-2/h3-6,11,15,25H,7-10,12,24H2,1-2H3,(H,26,29)/t15-/m1/s1
InChIKeyLVJCIECXNXBMIJ-OAHLLOKOSA-N
XLogP3.61
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[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

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
N-((1R,2S)-2-(5-Chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 24752832
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-amino-5-chloro-4,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 53382523
1-{[(5-chlorothiophen-2-yl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801159
N-((1R,2R)-2-(5-Chloro-1H-indole-2-carboxamido)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
CID 24752833
3-amino-N-(4-chlorobenzyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004121
3-amino-N,N-diethyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1541587
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
3-amino-N-(2,5-dichlorophenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003423
3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2793404

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 155560715) is 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CN[C@@H]1CCN(c2ccc(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2Cl)C1.
What is the InChIKey of 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LVJCIECXNXBMIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26ClN5OS/c1-13-3-5-16-19(24)20(30-22(16)27-13)21(29)26-9-7-14-4-6-18(17(23)11-14)28-10-8-15(12-28)25-2/h3-6,11,15,25H,7-10,12,24H2,1-2H3,(H,26,29)/t15-/m1/s1.
What are the key properties of 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 444.00 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[3-chloro-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155560715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).