9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C18H22FN5O — CID 98776810

IUPAC9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCC3(CC2)CN(Cc2ccccn2)CCO3)nc1
InChIInChI=1S/C18H22FN5O/c19-15-11-21-17(22-12-15)24-7-4-18(5-8-24)14-23(9-10-25-18)13-16-3-1-2-6-20-16/h1-3,6,11-12H,4-5,7-10,13-14H2
InChIKeyKETBFTUGWKNNAE-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.88
Rot. Bonds3

About 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 98776810) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID98776810
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCC3(CC2)CN(Cc2ccccn2)CCO3)nc1
InChIInChI=1S/C18H22FN5O/c19-15-11-21-17(22-12-15)24-7-4-18(5-8-24)14-23(9-10-25-18)13-16-3-1-2-6-20-16/h1-3,6,11-12H,4-5,7-10,13-14H2
InChIKeyKETBFTUGWKNNAE-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 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 98776810) is 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1cnc(N2CCC3(CC2)CN(Cc2ccccn2)CCO3)nc1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is KETBFTUGWKNNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c19-15-11-21-17(22-12-15)24-7-4-18(5-8-24)14-23(9-10-25-18)13-16-3-1-2-6-20-16/h1-3,6,11-12H,4-5,7-10,13-14H2.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-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 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 98776810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).