[3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone

C23H21N3OS — CID 144756269

IUPAC[3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESCc1cc(-c2ccc(N(C)C)cc2)c2c(N)c(C(=O)c3ccccc3)sc2n1
InChIInChI=1S/C23H21N3OS/c1-14-13-18(15-9-11-17(12-10-15)26(2)3)19-20(24)22(28-23(19)25-14)21(27)16-7-5-4-6-8-16/h4-13H,24H2,1-3H3
InChIKeyNLFPFGWICGZVDE-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.15
Rot. Bonds4

About [3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone

[3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone (PubChem CID 144756269) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is [3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
PubChem CID144756269
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name[3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESCc1cc(-c2ccc(N(C)C)cc2)c2c(N)c(C(=O)c3ccccc3)sc2n1
InChIInChI=1S/C23H21N3OS/c1-14-13-18(15-9-11-17(12-10-15)26(2)3)19-20(24)22(28-23(19)25-14)21(27)16-7-5-4-6-8-16/h4-13H,24H2,1-3H3
InChIKeyNLFPFGWICGZVDE-UHFFFAOYSA-N
XLogP5.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
CID 144756244
[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 5230190
[3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 10864030
3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1178305
3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carbohydrazide
CID 10640367
3-amino-6-(4-methylphenyl)-N,N,4-triphenylthieno[2,3-b]pyridine-2-carboxamide
CID 3165376
3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 14510427
[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3492281
[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23859670
(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
CID 1480855
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The IUPAC name of [3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone (CID 144756269) is [3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone.
What is the SMILES notation for [3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The canonical SMILES for [3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone is Cc1cc(-c2ccc(N(C)C)cc2)c2c(N)c(C(=O)c3ccccc3)sc2n1.
What is the InChIKey of [3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The InChIKey is NLFPFGWICGZVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-14-13-18(15-9-11-17(12-10-15)26(2)3)19-20(24)22(28-23(19)25-14)21(27)16-7-5-4-6-8-16/h4-13H,24H2,1-3H3.
What are the key properties of [3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone?
[3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone has a molecular weight of 387.51 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone is sourced from PubChem (CID 144756269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).