4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

C19H27F2N3O — CID 69493005

IUPAC4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CC[C@]3(CCCN(c4cc(F)cnc4F)C3)C2)CC1
InChIInChI=1S/C19H27F2N3O/c20-14-10-17(18(21)22-11-14)24-8-1-6-19(13-24)7-9-23(12-19)15-2-4-16(25)5-3-15/h10-11,15-16,25H,1-9,12-13H2/t15?,16?,19-/m1/s1
InChIKeyYAZSUCQGOOPDPW-LADRWXRNSA-N
MW351.44 g/mol
LogP2.96
Rot. Bonds2

About 4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 69493005) has the molecular formula C19H27F2N3O and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID69493005
Molecular FormulaC19H27F2N3O
Molecular Weight351.44 g/mol
Exact Mass351.21
IUPAC Name4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CC[C@]3(CCCN(c4cc(F)cnc4F)C3)C2)CC1
InChIInChI=1S/C19H27F2N3O/c20-14-10-17(18(21)22-11-14)24-8-1-6-19(13-24)7-9-23(12-19)15-2-4-16(25)5-3-15/h10-11,15-16,25H,1-9,12-13H2/t15?,16?,19-/m1/s1
InChIKeyYAZSUCQGOOPDPW-LADRWXRNSA-N
XLogP2.96
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 69493005) is 4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is OC1CCC(N2CC[C@]3(CCCN(c4cc(F)cnc4F)C3)C2)CC1.
What is the InChIKey of 4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is YAZSUCQGOOPDPW-LADRWXRNSA-N. The full InChI is InChI=1S/C19H27F2N3O/c20-14-10-17(18(21)22-11-14)24-8-1-6-19(13-24)7-9-23(12-19)15-2-4-16(25)5-3-15/h10-11,15-16,25H,1-9,12-13H2/t15?,16?,19-/m1/s1.
What are the key properties of 4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol has a molecular weight of 351.44 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-7-(2,5-difluoro-3-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 69493005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).