2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile

C25H20N4O3S — CID 66970646

IUPAC2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1c(C(=O)N2CC[C@@H](O)C2)sc2c1ccc(=O)n2-c1ccccc1
InChIInChI=1S/C25H20N4O3S/c26-14-16-6-4-5-9-20(16)27-22-19-10-11-21(31)29(17-7-2-1-3-8-17)25(19)33-23(22)24(32)28-13-12-18(30)15-28/h1-11,18,27,30H,12-13,15H2/t18-/m1/s1
InChIKeyPHSAUCGEGXBTJY-GOSISDBHSA-N
MW456.53 g/mol
LogP3.87
Rot. Bonds4

About 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile

2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile (PubChem CID 66970646) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile
PubChem CID66970646
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1c(C(=O)N2CC[C@@H](O)C2)sc2c1ccc(=O)n2-c1ccccc1
InChIInChI=1S/C25H20N4O3S/c26-14-16-6-4-5-9-20(16)27-22-19-10-11-21(31)29(17-7-2-1-3-8-17)25(19)33-23(22)24(32)28-13-12-18(30)15-28/h1-11,18,27,30H,12-13,15H2/t18-/m1/s1
InChIKeyPHSAUCGEGXBTJY-GOSISDBHSA-N
XLogP3.87
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile 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

lithium;3-(2-cyanoanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
CID 173035344
3-bromo-2-(3-hydroxyazetidine-1-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 66970636
2-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 111561000
2-(4-methylpiperazine-1-carbonyl)-3,7-diphenylthieno[2,3-b]pyridin-6-one
CID 21083982
3-amino-2-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-7-phenylthieno[2,3-b]pyridin-6-one
CID 68808267
2-[[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenoxy]methyl]benzonitrile
CID 111561741
lithium;3-(4-fluoro-3-methylanilino)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid;hydride
CID 173035347
(3-hydroxypyrrolidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
CID 62916236
1-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-2-oxopyridine-3-carbonitrile
CID 129481063
2-[[5-(4-benzylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzonitrile
CID 109161608
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 97033158

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile?
The IUPAC name of 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile (CID 66970646) is 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile?
The canonical SMILES for 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile is N#Cc1ccccc1Nc1c(C(=O)N2CC[C@@H](O)C2)sc2c1ccc(=O)n2-c1ccccc1.
What is the InChIKey of 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile?
The InChIKey is PHSAUCGEGXBTJY-GOSISDBHSA-N. The full InChI is InChI=1S/C25H20N4O3S/c26-14-16-6-4-5-9-20(16)27-22-19-10-11-21(31)29(17-7-2-1-3-8-17)25(19)33-23(22)24(32)28-13-12-18(30)15-28/h1-11,18,27,30H,12-13,15H2/t18-/m1/s1.
What are the key properties of 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile?
2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile has a molecular weight of 456.53 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile is sourced from PubChem (CID 66970646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).