(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C30H25FN4OS — CID 23915429

IUPAC(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C30H25FN4OS/c31-23-13-7-8-14-25(23)34-15-17-35(18-16-34)30(36)28-27(32)26-22(20-9-3-1-4-10-20)19-24(33-29(26)37-28)21-11-5-2-6-12-21/h1-14,19H,15-18,32H2
InChIKeyDISWOZRNHUDNDX-UHFFFAOYSA-N
MW508.62 g/mol
LogP6.31
Rot. Bonds4

About (3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 23915429) has the molecular formula C30H25FN4OS and a molecular weight of 508.62 g/mol. Its IUPAC name is (3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID23915429
Molecular FormulaC30H25FN4OS
Molecular Weight508.62 g/mol
Exact Mass508.17
IUPAC Name(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C30H25FN4OS/c31-23-13-7-8-14-25(23)34-15-17-35(18-16-34)30(36)28-27(32)26-22(20-9-3-1-4-10-20)19-24(33-29(26)37-28)21-11-5-2-6-12-21/h1-14,19H,15-18,32H2
InChIKeyDISWOZRNHUDNDX-UHFFFAOYSA-N
XLogP6.31
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313
(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39115726
(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 171133137
[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-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 122624340
(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1442746
[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 23744115
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 23915429) is (3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Nc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of (3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is DISWOZRNHUDNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4OS/c31-23-13-7-8-14-25(23)34-15-17-35(18-16-34)30(36)28-27(32)26-22(20-9-3-1-4-10-20)19-24(33-29(26)37-28)21-11-5-2-6-12-21/h1-14,19H,15-18,32H2.
What are the key properties of (3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 508.62 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 23915429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).