6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide

C22H25N7OS — CID 177202673

IUPAC6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cc4ccc(N5CC[C@H](N(C)C)C5)nc4s3)nc(C)c2n1
InChIInChI=1S/C22H25N7OS/c1-13-10-29-12-18(24-14(2)20(29)23-13)25-21(30)17-9-15-5-6-19(26-22(15)31-17)28-8-7-16(11-28)27(3)4/h5-6,9-10,12,16H,7-8,11H2,1-4H3,(H,25,30)/t16-/m0/s1
InChIKeyKMYFEDIUOIIHTJ-INIZCTEOSA-N
MW435.56 g/mol
LogP3.35
Rot. Bonds4

About 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide

6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 177202673) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID177202673
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC Name6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cn2cc(NC(=O)c3cc4ccc(N5CC[C@H](N(C)C)C5)nc4s3)nc(C)c2n1
InChIInChI=1S/C22H25N7OS/c1-13-10-29-12-18(24-14(2)20(29)23-13)25-21(30)17-9-15-5-6-19(26-22(15)31-17)28-8-7-16(11-28)27(3)4/h5-6,9-10,12,16H,7-8,11H2,1-4H3,(H,25,30)/t16-/m0/s1
InChIKeyKMYFEDIUOIIHTJ-INIZCTEOSA-N
XLogP3.35
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)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-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 170747450
5-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 170747701
N,N-dimethyl-1-(2-methylthieno[2,3-b]pyridin-6-yl)pyrrolidin-3-amine;formamide
CID 170747736
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507653
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.0]heptan-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 177202636
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 175963725
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazine-2-carboxamide
CID 166507526
5-[3-(dimethylamino)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
CID 170747771
N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide
CID 167500526
5-[3-[(cyclopropylamino)methyl]-3-fluoropyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 166507780
[ethyl-[1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-b]pyridin-6-yl]pyrrolidin-3-yl]boranyl]formonitrile
CID 177202465
N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-2-fluoro-4-[(3R)-3-methylpiperazin-1-yl]benzamide
CID 155483868

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 177202673) is 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cn2cc(NC(=O)c3cc4ccc(N5CC[C@H](N(C)C)C5)nc4s3)nc(C)c2n1.
What is the InChIKey of 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KMYFEDIUOIIHTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N7OS/c1-13-10-29-12-18(24-14(2)20(29)23-13)25-21(30)17-9-15-5-6-19(26-22(15)31-17)28-8-7-16(11-28)27(3)4/h5-6,9-10,12,16H,7-8,11H2,1-4H3,(H,25,30)/t16-/m0/s1.
What are the key properties of 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide?
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 435.56 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 177202673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).