5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine

C24H21F2N7OS — CID 46200883

IUPAC5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine
SMILESCN(C)CCOc1ccc(-n2nnnc2-c2cc(-c3cc4ccccc4s3)cnc2N)c(F)c1F
InChIInChI=1S/C24H21F2N7OS/c1-32(2)9-10-34-18-8-7-17(21(25)22(18)26)33-24(29-30-31-33)16-11-15(13-28-23(16)27)20-12-14-5-3-4-6-19(14)35-20/h3-8,11-13H,9-10H2,1-2H3,(H2,27,28)
InChIKeyYOHWRAVKJYUKEX-UHFFFAOYSA-N
MW493.54 g/mol
LogP4.41
Rot. Bonds7

About 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine

5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine (PubChem CID 46200883) has the molecular formula C24H21F2N7OS and a molecular weight of 493.54 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine
PubChem CID46200883
Molecular FormulaC24H21F2N7OS
Molecular Weight493.54 g/mol
Exact Mass493.15
IUPAC Name5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine
SMILESCN(C)CCOc1ccc(-n2nnnc2-c2cc(-c3cc4ccccc4s3)cnc2N)c(F)c1F
InChIInChI=1S/C24H21F2N7OS/c1-32(2)9-10-34-18-8-7-17(21(25)22(18)26)33-24(29-30-31-33)16-11-15(13-28-23(16)27)20-12-14-5-3-4-6-19(14)35-20/h3-8,11-13H,9-10H2,1-2H3,(H2,27,28)
InChIKeyYOHWRAVKJYUKEX-UHFFFAOYSA-N
XLogP4.41
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine (CID 46200883) is 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine is CN(C)CCOc1ccc(-n2nnnc2-c2cc(-c3cc4ccccc4s3)cnc2N)c(F)c1F.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine?
The InChIKey is YOHWRAVKJYUKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7OS/c1-32(2)9-10-34-18-8-7-17(21(25)22(18)26)33-24(29-30-31-33)16-11-15(13-28-23(16)27)20-12-14-5-3-4-6-19(14)35-20/h3-8,11-13H,9-10H2,1-2H3,(H2,27,28).
What are the key properties of 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine?
5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine has a molecular weight of 493.54 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-3-[1-[4-[2-(dimethylamino)ethoxy]-2,3-difluorophenyl]tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 46200883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).