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

C25H18N2OS2 — CID 23859670

IUPAC[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)c4cccs4)c(N)c23)cc1
InChIInChI=1S/C25H18N2OS2/c1-15-9-11-16(12-10-15)18-14-19(17-6-3-2-4-7-17)27-25-21(18)22(26)24(30-25)23(28)20-8-5-13-29-20/h2-14H,26H2,1H3
InChIKeyVIHKIXZGIZODNS-UHFFFAOYSA-N
MW426.57 g/mol
LogP6.81
Rot. Bonds4

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

[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone (PubChem CID 23859670) has the molecular formula C25H18N2OS2 and a molecular weight of 426.57 g/mol. Its IUPAC name is [3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
PubChem CID23859670
Molecular FormulaC25H18N2OS2
Molecular Weight426.57 g/mol
Exact Mass426.09
IUPAC Name[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)c4cccs4)c(N)c23)cc1
InChIInChI=1S/C25H18N2OS2/c1-15-9-11-16(12-10-15)18-14-19(17-6-3-2-4-7-17)27-25-21(18)22(26)24(30-25)23(28)20-8-5-13-29-20/h2-14H,26H2,1H3
InChIKeyVIHKIXZGIZODNS-UHFFFAOYSA-N
XLogP6.81
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone (CID 23859670) is [3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone is Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)c4cccs4)c(N)c23)cc1.
What is the InChIKey of [3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone?
The InChIKey is VIHKIXZGIZODNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2OS2/c1-15-9-11-16(12-10-15)18-14-19(17-6-3-2-4-7-17)27-25-21(18)22(26)24(30-25)23(28)20-8-5-13-29-20/h2-14H,26H2,1H3.
What are the key properties of [3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone?
[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone has a molecular weight of 426.57 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 23859670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).