[3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone

C28H20Cl2N2O2S — CID 23773333

IUPAC[3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)c4ccc(Cl)cc4Cl)sc3n2)cc1
InChIInChI=1S/C28H20Cl2N2O2S/c1-15-3-5-16(6-4-15)21-14-23(17-7-10-19(34-2)11-8-17)32-28-24(21)25(31)27(35-28)26(33)20-12-9-18(29)13-22(20)30/h3-14H,31H2,1-2H3
InChIKeyLPMGZQKVEGYRGI-UHFFFAOYSA-N
MW519.45 g/mol
LogP8.07
Rot. Bonds5

About [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone

[3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 23773333) has the molecular formula C28H20Cl2N2O2S and a molecular weight of 519.45 g/mol. Its IUPAC name is [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
PubChem CID23773333
Molecular FormulaC28H20Cl2N2O2S
Molecular Weight519.45 g/mol
Exact Mass518.06
IUPAC Name[3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)c4ccc(Cl)cc4Cl)sc3n2)cc1
InChIInChI=1S/C28H20Cl2N2O2S/c1-15-3-5-16(6-4-15)21-14-23(17-7-10-19(34-2)11-8-17)32-28-24(21)25(31)27(35-28)26(33)20-12-9-18(29)13-22(20)30/h3-14H,31H2,1-2H3
InChIKeyLPMGZQKVEGYRGI-UHFFFAOYSA-N
XLogP8.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.45
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4,6-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 984123
3-amino-N-(2,5-dichlorophenyl)-6-(4-methoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129336
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451
(4-methylphenyl) 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 132557187
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 4251194
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830129
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
4-[3-amino-6-(4-chlorophenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbonyl]-3-[4-(trifluoromethoxy)phenyl]oxadiazol-3-ium-5-olate
CID 137258955
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 1001525
3-amino-4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23886209

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone (CID 23773333) is [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone is COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)c4ccc(Cl)cc4Cl)sc3n2)cc1.
What is the InChIKey of [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is LPMGZQKVEGYRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N2O2S/c1-15-3-5-16(6-4-15)21-14-23(17-7-10-19(34-2)11-8-17)32-28-24(21)25(31)27(35-28)26(33)20-12-9-18(29)13-22(20)30/h3-14H,31H2,1-2H3.
What are the key properties of [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
[3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 519.45 g/mol, XLogP of 8.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 23773333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).