[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

C25H23N3O3S — CID 1147313

IUPAC[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCOCC4)c(N)c23)cc1
InChIInChI=1S/C25H23N3O3S/c1-30-18-9-7-16(8-10-18)19-15-20(17-5-3-2-4-6-17)27-24-21(19)22(26)23(32-24)25(29)28-11-13-31-14-12-28/h2-10,15H,11-14,26H2,1H3
InChIKeyZYYPPJNYXKVBJJ-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.69
Rot. Bonds4

About [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 1147313) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID1147313
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCOCC4)c(N)c23)cc1
InChIInChI=1S/C25H23N3O3S/c1-30-18-9-7-16(8-10-18)19-15-20(17-5-3-2-4-6-17)27-24-21(19)22(26)23(32-24)25(29)28-11-13-31-14-12-28/h2-10,15H,11-14,26H2,1H3
InChIKeyZYYPPJNYXKVBJJ-UHFFFAOYSA-N
XLogP4.69
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1157649
[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 23943389
ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
(4-methylphenyl) 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 132557187
3-amino-4,6-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 984123
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 23915429
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 122624340
[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-6-phenylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23971348
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-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone (CID 1147313) is [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone is COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCOCC4)c(N)c23)cc1.
What is the InChIKey of [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is ZYYPPJNYXKVBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-30-18-9-7-16(8-10-18)19-15-20(17-5-3-2-4-6-17)27-24-21(19)22(26)23(32-24)25(29)28-11-13-31-14-12-28/h2-10,15H,11-14,26H2,1H3.
What are the key properties of [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 445.54 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1147313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).