1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone

C28H22N4OS — CID 53467819

IUPAC1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone
SMILESNc1ncc(-c2ccncc2)c2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12
InChIInChI=1S/C28H22N4OS/c29-28-26-23(17-34-27(26)22(16-31-28)19-8-11-30-12-9-19)20-6-7-24-21(15-20)10-13-32(24)25(33)14-18-4-2-1-3-5-18/h1-9,11-12,15-17H,10,13-14H2,(H2,29,31)
InChIKeyIJDWVHBBYQCFIF-UHFFFAOYSA-N
MW462.58 g/mol
LogP5.74
Rot. Bonds4

About 1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone

1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone (PubChem CID 53467819) has the molecular formula C28H22N4OS and a molecular weight of 462.58 g/mol. Its IUPAC name is 1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone
PubChem CID53467819
Molecular FormulaC28H22N4OS
Molecular Weight462.58 g/mol
Exact Mass462.15
IUPAC Name1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone
SMILESNc1ncc(-c2ccncc2)c2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12
InChIInChI=1S/C28H22N4OS/c29-28-26-23(17-34-27(26)22(16-31-28)19-8-11-30-12-9-19)20-6-7-24-21(15-20)10-13-32(24)25(33)14-18-4-2-1-3-5-18/h1-9,11-12,15-17H,10,13-14H2,(H2,29,31)
InChIKeyIJDWVHBBYQCFIF-UHFFFAOYSA-N
XLogP5.74
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-Aminothieno[3,2-C]pyridin-3-Yl)-2,3-Dihydro-1h-Indol-1-Yl]-2-Phenylethanone
CID 53466728
5-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}thieno[2,3-d]pyrimidin-4-amine
CID 53467177
1-(5-(4-Amino-7-(1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl)indolin-1-yl)-2-phenylethan-1-one
CID 53469634
1-[4-[4-amino-7-(1H-pyrrol-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea
CID 70693989
1-(4-(4-Amino-7-(pyridin-3-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 11259499
1-(4-(4-Amino-7-(pyridin-4-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 11590515
N-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-2-phenylacetamide
CID 16066694
N-[3-(4-Amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 16223710
N-[3-(4-Amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-2-(2-thienyl)acetamide
CID 16223711
N-[3-(4-Amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-2,5-difluorobenzamide
CID 16223900
N-[3-(4-Amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]benzamide
CID 16223901
2-(4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl)-N-m-tolylacetamide
CID 18450549

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
The IUPAC name of 1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone (CID 53467819) is 1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone is Nc1ncc(-c2ccncc2)c2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12.
What is the InChIKey of 1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
The InChIKey is IJDWVHBBYQCFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4OS/c29-28-26-23(17-34-27(26)22(16-31-28)19-8-11-30-12-9-19)20-6-7-24-21(15-20)10-13-32(24)25(33)14-18-4-2-1-3-5-18/h1-9,11-12,15-17H,10,13-14H2,(H2,29,31).
What are the key properties of 1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone?
1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone has a molecular weight of 462.58 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-phenylethanone is sourced from PubChem (CID 53467819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).