8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane

C18H22FN5O — CID 118746931

IUPAC8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCCC3(CN(Cc4ccncc4)CCO3)C2)nc1
InChIInChI=1S/C18H22FN5O/c19-16-10-21-17(22-11-16)24-7-1-4-18(14-24)13-23(8-9-25-18)12-15-2-5-20-6-3-15/h2-3,5-6,10-11H,1,4,7-9,12-14H2
InChIKeyXQOPVUXHNOBBRA-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.88
Rot. Bonds3

About 8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane

8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118746931) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118746931
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCCC3(CN(Cc4ccncc4)CCO3)C2)nc1
InChIInChI=1S/C18H22FN5O/c19-16-10-21-17(22-11-16)24-7-1-4-18(14-24)13-23(8-9-25-18)12-15-2-5-20-6-3-15/h2-3,5-6,10-11H,1,4,7-9,12-14H2
InChIKeyXQOPVUXHNOBBRA-UHFFFAOYSA-N
XLogP1.88
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118746931) is 8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is Fc1cnc(N2CCCC3(CN(Cc4ccncc4)CCO3)C2)nc1.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is XQOPVUXHNOBBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c19-16-10-21-17(22-11-16)24-7-1-4-18(14-24)13-23(8-9-25-18)12-15-2-5-20-6-3-15/h2-3,5-6,10-11H,1,4,7-9,12-14H2.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 343.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118746931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).