3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol

C23H16ClFN6O — CID 161442788

IUPAC3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESOC1(C2=Nc3ccc(F)cc3C2)CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)cnc21
InChIInChI=1S/C23H16ClFN6O/c24-16-1-4-20(31-12-27-29-30-31)18(10-16)15-7-13-5-6-23(32,22(13)26-11-15)21-9-14-8-17(25)2-3-19(14)28-21/h1-4,7-8,10-12,32H,5-6,9H2
InChIKeyHTJDVQLKQFGJTQ-UHFFFAOYSA-N
MW446.87 g/mol
LogP3.98
Rot. Bonds3

About 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol

3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol (PubChem CID 161442788) has the molecular formula C23H16ClFN6O and a molecular weight of 446.87 g/mol. Its IUPAC name is 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol
PubChem CID161442788
Molecular FormulaC23H16ClFN6O
Molecular Weight446.87 g/mol
Exact Mass446.11
IUPAC Name3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol
SMILESOC1(C2=Nc3ccc(F)cc3C2)CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)cnc21
InChIInChI=1S/C23H16ClFN6O/c24-16-1-4-20(31-12-27-29-30-31)18(10-16)15-7-13-5-6-23(32,22(13)26-11-15)21-9-14-8-17(25)2-3-19(14)28-21/h1-4,7-8,10-12,32H,5-6,9H2
InChIKeyHTJDVQLKQFGJTQ-UHFFFAOYSA-N
XLogP3.98
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The IUPAC name of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol (CID 161442788) is 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The canonical SMILES for 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol is OC1(C2=Nc3ccc(F)cc3C2)CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)cnc21.
What is the InChIKey of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol?
The InChIKey is HTJDVQLKQFGJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6O/c24-16-1-4-20(31-12-27-29-30-31)18(10-16)15-7-13-5-6-23(32,22(13)26-11-15)21-9-14-8-17(25)2-3-19(14)28-21/h1-4,7-8,10-12,32H,5-6,9H2.
What are the key properties of 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol?
3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol has a molecular weight of 446.87 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(tetrazol-1-yl)phenyl]-7-(5-fluoro-3H-indol-2-yl)-5,6-dihydrocyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 161442788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).