3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one

C26H25N3O2S — CID 67532498

IUPAC3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one
SMILESCc1cccc(C(=O)c2c(NC3CCNCC3)sc3c2ccc(=O)n3-c2ccccc2)c1
InChIInChI=1S/C26H25N3O2S/c1-17-6-5-7-18(16-17)24(31)23-21-10-11-22(30)29(20-8-3-2-4-9-20)26(21)32-25(23)28-19-12-14-27-15-13-19/h2-11,16,19,27-28H,12-15H2,1H3
InChIKeySWYINJOCNPOUIR-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.76
Rot. Bonds5

About 3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one

3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one (PubChem CID 67532498) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one
PubChem CID67532498
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC Name3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one
SMILESCc1cccc(C(=O)c2c(NC3CCNCC3)sc3c2ccc(=O)n3-c2ccccc2)c1
InChIInChI=1S/C26H25N3O2S/c1-17-6-5-7-18(16-17)24(31)23-21-10-11-22(30)29(20-8-3-2-4-9-20)26(21)32-25(23)28-19-12-14-27-15-13-19/h2-11,16,19,27-28H,12-15H2,1H3
InChIKeySWYINJOCNPOUIR-UHFFFAOYSA-N
XLogP4.76
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzoyl-2-[(1-methylazetidin-3-yl)amino]-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
CID 67532449
3-[[3-benzoyl-7-(4-methylphenyl)-6-oxothieno[2,3-b]pyridin-2-yl]amino]azetidine-1-carboxylic acid
CID 67532815
(2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 67533726
3-(4-fluoro-3-methylbenzoyl)-7-(4-fluorophenyl)-2-[(1-methylpiperidin-4-yl)amino]thieno[2,3-b]pyridin-6-one
CID 67533692
2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
CID 67531139
2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67533006
ethyl 6-oxo-7-phenyl-3-[3-(trifluoromethyl)benzoyl]thieno[2,3-b]pyridine-2-carboxylate
CID 67531801
N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide
CID 67532779
3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 67533952
2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
CID 119386927
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one?
The IUPAC name of 3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one (CID 67532498) is 3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one is Cc1cccc(C(=O)c2c(NC3CCNCC3)sc3c2ccc(=O)n3-c2ccccc2)c1.
What is the InChIKey of 3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one?
The InChIKey is SWYINJOCNPOUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-17-6-5-7-18(16-17)24(31)23-21-10-11-22(30)29(20-8-3-2-4-9-20)26(21)32-25(23)28-19-12-14-27-15-13-19/h2-11,16,19,27-28H,12-15H2,1H3.
What are the key properties of 3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one?
3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one has a molecular weight of 443.57 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 67532498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).