4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

C18H27FN4O — CID 69492776

IUPAC4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)CC1
InChIInChI=1S/C18H27FN4O/c19-14-10-20-17(21-11-14)23-8-1-6-18(13-23)7-9-22(12-18)15-2-4-16(24)5-3-15/h10-11,15-16,24H,1-9,12-13H2/t15?,16?,18-/m1/s1
InChIKeyXISNDUVXSUDRCL-LEOMRAHMSA-N
MW334.44 g/mol
LogP2.21
Rot. Bonds2

About 4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 69492776) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID69492776
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)CC1
InChIInChI=1S/C18H27FN4O/c19-14-10-20-17(21-11-14)23-8-1-6-18(13-23)7-9-22(12-18)15-2-4-16(24)5-3-15/h10-11,15-16,24H,1-9,12-13H2/t15?,16?,18-/m1/s1
InChIKeyXISNDUVXSUDRCL-LEOMRAHMSA-N
XLogP2.21
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 69492776) is 4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is OC1CCC(N2CC[C@]3(CCCN(c4ncc(F)cn4)C3)C2)CC1.
What is the InChIKey of 4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is XISNDUVXSUDRCL-LEOMRAHMSA-N. The full InChI is InChI=1S/C18H27FN4O/c19-14-10-20-17(21-11-14)23-8-1-6-18(13-23)7-9-22(12-18)15-2-4-16(24)5-3-15/h10-11,15-16,24H,1-9,12-13H2/t15?,16?,18-/m1/s1.
What are the key properties of 4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol has a molecular weight of 334.44 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69492776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).