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

C17H23FN6O — CID 97451011

IUPAC4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCn1cc(CN2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)cn1
InChIInChI=1S/C17H23FN6O/c1-22-11-14(8-21-22)12-23-4-2-17(3-5-23)13-24(6-7-25-17)16-19-9-15(18)10-20-16/h8-11H,2-7,12-13H2,1H3
InChIKeyLIZLHBQMUUTLSF-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.22
Rot. Bonds3

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

4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97451011) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97451011
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCn1cc(CN2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)cn1
InChIInChI=1S/C17H23FN6O/c1-22-11-14(8-21-22)12-23-4-2-17(3-5-23)13-24(6-7-25-17)16-19-9-15(18)10-20-16/h8-11H,2-7,12-13H2,1H3
InChIKeyLIZLHBQMUUTLSF-UHFFFAOYSA-N
XLogP1.22
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-(5-Fluoropyrimidin-2-yl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471483
4-({5-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70732839
4-({5-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 72930005
4-[[5-[(3R)-1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95869562
4-[[5-[(3S)-1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95869563
9-(Cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372302
[4-(5-Fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrrolidin-1-ylmethanone
CID 97372307
4-(5-Fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97385650
4-(5-Fluoropyrimidin-2-yl)-9-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97451025
(6R)-8-(5-fluoropyrimidin-2-yl)-4-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492259
(6S)-8-(5-fluoropyrimidin-2-yl)-4-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492260
4-[5-fluoro-2-(1-methyl-1H-pyrazol-4-yl)pyrimidin-4-yl]morpholine
CID 121505505

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97451011) is 4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane is Cn1cc(CN2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)cn1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is LIZLHBQMUUTLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-22-11-14(8-21-22)12-23-4-2-17(3-5-23)13-24(6-7-25-17)16-19-9-15(18)10-20-16/h8-11H,2-7,12-13H2,1H3.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 346.41 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97451011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).