9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H20FN5O2 — CID 97451049

IUPAC9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C18H20FN5O2/c19-14-9-21-17(22-10-14)23-7-4-18(5-8-23)13-24(16(25)12-26-18)11-15-3-1-2-6-20-15/h1-3,6,9-10H,4-5,7-8,11-13H2
InChIKeyBTFSGZKTKWMZPF-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.41
Rot. Bonds3

About 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97451049) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97451049
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C18H20FN5O2/c19-14-9-21-17(22-10-14)23-7-4-18(5-8-23)13-24(16(25)12-26-18)11-15-3-1-2-6-20-15/h1-3,6,9-10H,4-5,7-8,11-13H2
InChIKeyBTFSGZKTKWMZPF-UHFFFAOYSA-N
XLogP1.41
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.41
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]undecan-3-one?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97451049) is 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ncc(F)cn3)CC2)CN1Cc1ccccn1.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BTFSGZKTKWMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-14-9-21-17(22-10-14)23-7-4-18(5-8-23)13-24(16(25)12-26-18)11-15-3-1-2-6-20-15/h1-3,6,9-10H,4-5,7-8,11-13H2.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.39 g/mol, XLogP of 1.41, 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]undecan-3-one is sourced from PubChem (CID 97451049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).