2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine

C23H16N4OS — CID 18382880

IUPAC2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine
SMILESCc1cc2cc(Nc3ccnc4cc(-c5nc6ccccc6o5)sc34)ccc2[nH]1
InChIInChI=1S/C23H16N4OS/c1-13-10-14-11-15(6-7-16(14)25-13)26-18-8-9-24-19-12-21(29-22(18)19)23-27-17-4-2-3-5-20(17)28-23/h2-12,25H,1H3,(H,24,26)
InChIKeyGAFWXOWNUHBYBF-UHFFFAOYSA-N
MW396.48 g/mol
LogP6.64
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine

2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine (PubChem CID 18382880) has the molecular formula C23H16N4OS and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine
PubChem CID18382880
Molecular FormulaC23H16N4OS
Molecular Weight396.48 g/mol
Exact Mass396.10
IUPAC Name2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine
SMILESCc1cc2cc(Nc3ccnc4cc(-c5nc6ccccc6o5)sc34)ccc2[nH]1
InChIInChI=1S/C23H16N4OS/c1-13-10-14-11-15(6-7-16(14)25-13)26-18-8-9-24-19-12-21(29-22(18)19)23-27-17-4-2-3-5-20(17)28-23/h2-12,25H,1H3,(H,24,26)
InChIKeyGAFWXOWNUHBYBF-UHFFFAOYSA-N
XLogP6.64
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine (CID 18382880) is 2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine is Cc1cc2cc(Nc3ccnc4cc(-c5nc6ccccc6o5)sc34)ccc2[nH]1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is GAFWXOWNUHBYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS/c1-13-10-14-11-15(6-7-16(14)25-13)26-18-8-9-24-19-12-21(29-22(18)19)23-27-17-4-2-3-5-20(17)28-23/h2-12,25H,1H3,(H,24,26).
What are the key properties of 2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine?
2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 396.48 g/mol, XLogP of 6.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-N-(2-methyl-1H-indol-5-yl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 18382880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).