5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine

C26H23F2N7O2S — CID 46200560

IUPAC5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc3ccccc3s2)cc1-c1nnnn1-c1ccc(OCCN2CCOCC2)c(F)c1F
InChIInChI=1S/C26H23F2N7O2S/c27-23-19(5-6-20(24(23)28)37-12-9-34-7-10-36-11-8-34)35-26(31-32-33-35)18-13-17(15-30-25(18)29)22-14-16-3-1-2-4-21(16)38-22/h1-6,13-15H,7-12H2,(H2,29,30)
InChIKeyPFQWRGQXOQXISS-UHFFFAOYSA-N
MW535.58 g/mol
LogP4.18
Rot. Bonds7

About 5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine

5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine (PubChem CID 46200560) has the molecular formula C26H23F2N7O2S and a molecular weight of 535.58 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
PubChem CID46200560
Molecular FormulaC26H23F2N7O2S
Molecular Weight535.58 g/mol
Exact Mass535.16
IUPAC Name5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc3ccccc3s2)cc1-c1nnnn1-c1ccc(OCCN2CCOCC2)c(F)c1F
InChIInChI=1S/C26H23F2N7O2S/c27-23-19(5-6-20(24(23)28)37-12-9-34-7-10-36-11-8-34)35-26(31-32-33-35)18-13-17(15-30-25(18)29)22-14-16-3-1-2-4-21(16)38-22/h1-6,13-15H,7-12H2,(H2,29,30)
InChIKeyPFQWRGQXOQXISS-UHFFFAOYSA-N
XLogP4.18
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine (CID 46200560) is 5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine is Nc1ncc(-c2cc3ccccc3s2)cc1-c1nnnn1-c1ccc(OCCN2CCOCC2)c(F)c1F.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine?
The InChIKey is PFQWRGQXOQXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7O2S/c27-23-19(5-6-20(24(23)28)37-12-9-34-7-10-36-11-8-34)35-26(31-32-33-35)18-13-17(15-30-25(18)29)22-14-16-3-1-2-4-21(16)38-22/h1-6,13-15H,7-12H2,(H2,29,30).
What are the key properties of 5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine?
5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine has a molecular weight of 535.58 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-3-[1-[2,3-difluoro-4-(2-morpholin-4-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 46200560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).