6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one

C25H25BrN2O2S — CID 164533678

IUPAC6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one
SMILESCCN(CC)c1ccc(-c2cc3c(s2)c(-c2ccc(OC)cc2)c(Br)c(=O)n3C)cc1
InChIInChI=1S/C25H25BrN2O2S/c1-5-28(6-2)18-11-7-16(8-12-18)21-15-20-24(31-21)22(23(26)25(29)27(20)3)17-9-13-19(30-4)14-10-17/h7-15H,5-6H2,1-4H3
InChIKeyPGPFDHCMGRGTNX-UHFFFAOYSA-N
MW497.46 g/mol
LogP6.55
Rot. Bonds6

About 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one

6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one (PubChem CID 164533678) has the molecular formula C25H25BrN2O2S and a molecular weight of 497.46 g/mol. Its IUPAC name is 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one
PubChem CID164533678
Molecular FormulaC25H25BrN2O2S
Molecular Weight497.46 g/mol
Exact Mass496.08
IUPAC Name6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one
SMILESCCN(CC)c1ccc(-c2cc3c(s2)c(-c2ccc(OC)cc2)c(Br)c(=O)n3C)cc1
InChIInChI=1S/C25H25BrN2O2S/c1-5-28(6-2)18-11-7-16(8-12-18)21-15-20-24(31-21)22(23(26)25(29)27(20)3)17-9-13-19(30-4)14-10-17/h7-15H,5-6H2,1-4H3
InChIKeyPGPFDHCMGRGTNX-UHFFFAOYSA-N
XLogP6.55
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.46
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

4-(5-(4-methoxyphenyl)thiophen-2-yl)-N,N-dimethylbenzenamine
CID 44408841
Methyl 4-benzyl-2-(4-methoxyphenyl)-5-oxothieno[3,2-b]pyridine-7-carboxylate
CID 138966548
Methyl 4-methyl-5-oxo-2-(4-phenoxyphenyl)thieno[3,2-b]pyridine-7-carboxylate
CID 138966550
6-Amino-7-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyridin-5-one;2,2,2-trifluoroacetic acid
CID 44204846
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 55555342
3-(4-methoxyphenyl)-N-[4-({[(thiophen-2-yl)methyl]carbamoyl}methyl)phenyl]propanamide
CID 25862615
1-(2-Ethylphenyl)-4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-ylpyridine-3-carbonitrile
CID 54612882
N-[2-(4-methoxyphenyl)ethyl]-5-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 117087982
N,N-diethyl-5-(4-methoxyphenyl)-4-methyl-2-phenylthiophen-3-amine
CID 12008414
3-[5-(4-Methoxyphenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 59152278
(E)-1-[4-[4-(dimethylamino)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 59934276
N-[(3-methoxyphenyl)methyl]-N-(5-phenylthiophen-3-yl)propanamide
CID 67298898

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one?
The IUPAC name of 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one (CID 164533678) is 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one?
The canonical SMILES for 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one is CCN(CC)c1ccc(-c2cc3c(s2)c(-c2ccc(OC)cc2)c(Br)c(=O)n3C)cc1.
What is the InChIKey of 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one?
The InChIKey is PGPFDHCMGRGTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O2S/c1-5-28(6-2)18-11-7-16(8-12-18)21-15-20-24(31-21)22(23(26)25(29)27(20)3)17-9-13-19(30-4)14-10-17/h7-15H,5-6H2,1-4H3.
What are the key properties of 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one?
6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one has a molecular weight of 497.46 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-4-methylthieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 164533678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).