5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one

C17H13N3OS — CID 90041635

IUPAC5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one
SMILESNc1cncc(-c2ccc(-c3ccc4c(c3)CC(=O)N4)s2)c1
InChIInChI=1S/C17H13N3OS/c18-13-6-12(8-19-9-13)16-4-3-15(22-16)10-1-2-14-11(5-10)7-17(21)20-14/h1-6,8-9H,7,18H2,(H,20,21)
InChIKeyPRXMYIVHVPYZCN-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.55
Rot. Bonds2

About 5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one

5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one (PubChem CID 90041635) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one
PubChem CID90041635
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one
SMILESNc1cncc(-c2ccc(-c3ccc4c(c3)CC(=O)N4)s2)c1
InChIInChI=1S/C17H13N3OS/c18-13-6-12(8-19-9-13)16-4-3-15(22-16)10-1-2-14-11(5-10)7-17(21)20-14/h1-6,8-9H,7,18H2,(H,20,21)
InChIKeyPRXMYIVHVPYZCN-UHFFFAOYSA-N
XLogP3.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one
CID 90042193
5-[5-[5-[(2,4-difluorophenyl)sulfanylamino]-3-pyridinyl]thiophen-2-yl]-1,3-dihydroindol-2-one
CID 138566303
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582
5-thiophen-2-yl-1,3-dihydroindol-2-one
CID 16637508
5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
CID 82360106
3-(2-oxo-1,3-dihydroindol-5-yl)pyridine-4-carboxamide
CID 175778528
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
CID 82479021
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882
5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-[2-[[2-amino-3-(4-hydroxyphenyl)propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 76571332

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one (CID 90041635) is 5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one is Nc1cncc(-c2ccc(-c3ccc4c(c3)CC(=O)N4)s2)c1.
What is the InChIKey of 5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one?
The InChIKey is PRXMYIVHVPYZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c18-13-6-12(8-19-9-13)16-4-3-15(22-16)10-1-2-14-11(5-10)7-17(21)20-14/h1-6,8-9H,7,18H2,(H,20,21).
What are the key properties of 5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one?
5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one has a molecular weight of 307.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90041635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).