7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane

C23H29N7O — CID 56959849

IUPAC7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane
SMILESCCc1cnc(N2CCC3(CC2)CC(CCOc2ccc(-n4cnnn4)cc2)C3)nc1
InChIInChI=1S/C23H29N7O/c1-2-18-15-24-22(25-16-18)29-10-8-23(9-11-29)13-19(14-23)7-12-31-21-5-3-20(4-6-21)30-17-26-27-28-30/h3-6,15-17,19H,2,7-14H2,1H3
InChIKeyUKUMQARGXQZTRA-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.48
Rot. Bonds7

About 7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane

7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane (PubChem CID 56959849) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane
PubChem CID56959849
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane
SMILESCCc1cnc(N2CCC3(CC2)CC(CCOc2ccc(-n4cnnn4)cc2)C3)nc1
InChIInChI=1S/C23H29N7O/c1-2-18-15-24-22(25-16-18)29-10-8-23(9-11-29)13-19(14-23)7-12-31-21-5-3-20(4-6-21)30-17-26-27-28-30/h3-6,15-17,19H,2,7-14H2,1H3
InChIKeyUKUMQARGXQZTRA-UHFFFAOYSA-N
XLogP3.48
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane (CID 56959849) is 7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane is CCc1cnc(N2CCC3(CC2)CC(CCOc2ccc(-n4cnnn4)cc2)C3)nc1.
What is the InChIKey of 7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane?
The InChIKey is UKUMQARGXQZTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-2-18-15-24-22(25-16-18)29-10-8-23(9-11-29)13-19(14-23)7-12-31-21-5-3-20(4-6-21)30-17-26-27-28-30/h3-6,15-17,19H,2,7-14H2,1H3.
What are the key properties of 7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane?
7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane has a molecular weight of 419.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-ethylpyrimidin-2-yl)-2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 56959849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).