[3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone

C34H25N3O3S2 — CID 3265834

IUPAC[3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone
SMILESCOc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4c5ccccc5Sc5ccccc54)c(N)c23)c1OC
InChIInChI=1S/C34H25N3O3S2/c1-39-26-16-10-13-21(31(26)40-2)22-19-23(20-11-4-3-5-12-20)36-33-29(22)30(35)32(42-33)34(38)37-24-14-6-8-17-27(24)41-28-18-9-7-15-25(28)37/h3-19H,35H2,1-2H3
InChIKeyVVNDLOLQPOTALC-UHFFFAOYSA-N
MW587.73 g/mol
LogP8.67
Rot. Bonds5

About [3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone

[3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone (PubChem CID 3265834) has the molecular formula C34H25N3O3S2 and a molecular weight of 587.73 g/mol. Its IUPAC name is [3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name[3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone
PubChem CID3265834
Molecular FormulaC34H25N3O3S2
Molecular Weight587.73 g/mol
Exact Mass587.13
IUPAC Name[3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone
SMILESCOc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4c5ccccc5Sc5ccccc54)c(N)c23)c1OC
InChIInChI=1S/C34H25N3O3S2/c1-39-26-16-10-13-21(31(26)40-2)22-19-23(20-11-4-3-5-12-20)36-33-29(22)30(35)32(42-33)34(38)37-24-14-6-8-17-27(24)41-28-18-9-7-15-25(28)37/h3-19H,35H2,1-2H3
InChIKeyVVNDLOLQPOTALC-UHFFFAOYSA-N
XLogP8.67
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-cyclohexyl-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23801310
[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 23943389
[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 23744115
3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23886211
[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 23744119
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
(3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone
CID 35583177
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
3-amino-4-(3-methoxyphenyl)-6-phenyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 22597648
3-amino-N-(2,5-dimethoxyphenyl)-4-(2-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3165794

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone?
The IUPAC name of [3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone (CID 3265834) is [3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone.
What is the SMILES notation for [3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone?
The canonical SMILES for [3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone is COc1cccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4c5ccccc5Sc5ccccc54)c(N)c23)c1OC.
What is the InChIKey of [3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone?
The InChIKey is VVNDLOLQPOTALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3O3S2/c1-39-26-16-10-13-21(31(26)40-2)22-19-23(20-11-4-3-5-12-20)36-33-29(22)30(35)32(42-33)34(38)37-24-14-6-8-17-27(24)41-28-18-9-7-15-25(28)37/h3-19H,35H2,1-2H3.
What are the key properties of [3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone?
[3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone has a molecular weight of 587.73 g/mol, XLogP of 8.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(2,3-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-phenothiazin-10-ylmethanone is sourced from PubChem (CID 3265834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).