2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one

C23H23N3OS — CID 146381202

IUPAC2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one
SMILESCCN(CC)c1ccc(-c2cc3c(s2)c(-c2ccccn2)cc(=O)n3C)cc1
InChIInChI=1S/C23H23N3OS/c1-4-26(5-2)17-11-9-16(10-12-17)21-15-20-23(28-21)18(14-22(27)25(20)3)19-8-6-7-13-24-19/h6-15H,4-5H2,1-3H3
InChIKeyBYMUXKGZRLEVGL-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.18
Rot. Bonds5

About 2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one

2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one (PubChem CID 146381202) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one
PubChem CID146381202
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one
SMILESCCN(CC)c1ccc(-c2cc3c(s2)c(-c2ccccn2)cc(=O)n3C)cc1
InChIInChI=1S/C23H23N3OS/c1-4-26(5-2)17-11-9-16(10-12-17)21-15-20-23(28-21)18(14-22(27)25(20)3)19-8-6-7-13-24-19/h6-15H,4-5H2,1-3H3
InChIKeyBYMUXKGZRLEVGL-UHFFFAOYSA-N
XLogP5.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one
CID 164533678
4-N,4-N-diethyl-1-N-methyl-1-N-(4-pyridin-2-ylphenyl)benzene-1,4-diamine
CID 175630107
4-(diethylamino)-1-methylquinolin-2-one
CID 121227285
4-[5-(2,6-dipyridin-2-yl-4-pyridinyl)thiophen-2-yl]-N,N-dihexylaniline
CID 132522913
N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 159082705
methyl 4-methyl-5-oxo-2-phenylthieno[3,2-b]pyridine-7-carboxylate
CID 10780490
5-(2-aminoethyl)-4-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271260
N,N-diethyl-4-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]aniline
CID 47015383
[1-[4-(diethylamino)phenyl]indolizin-3-yl]-phenylmethanone
CID 170222441
6-[4-(diethylamino)phenyl]-3,4-diphenylpyran-2-one
CID 71350905
N,N-diethyl-4-(3-methylbenzo[e]benzimidazol-2-yl)aniline
CID 14011838
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one?
The IUPAC name of 2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one (CID 146381202) is 2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one is CCN(CC)c1ccc(-c2cc3c(s2)c(-c2ccccn2)cc(=O)n3C)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one?
The InChIKey is BYMUXKGZRLEVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-4-26(5-2)17-11-9-16(10-12-17)21-15-20-23(28-21)18(14-22(27)25(20)3)19-8-6-7-13-24-19/h6-15H,4-5H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one?
2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one has a molecular weight of 389.52 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-4-methyl-7-pyridin-2-ylthieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 146381202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).