(5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C19H25BrFN3O2 — CID 58653472

IUPAC(5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ncc(F)cc1Br)C2
InChIInChI=1S/C19H25BrFN3O2/c20-16-10-13(21)11-22-17(16)23-8-1-6-19(12-23)7-9-24(18(19)26)14-2-4-15(25)5-3-14/h10-11,14-15,25H,1-9,12H2/t14?,15?,19-/m1/s1
InChIKeyCYGKOULWNFLYGD-JFIBYHEFSA-N
MW426.33 g/mol
LogP3.11
Rot. Bonds2

About (5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653472) has the molecular formula C19H25BrFN3O2 and a molecular weight of 426.33 g/mol. Its IUPAC name is (5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653472
Molecular FormulaC19H25BrFN3O2
Molecular Weight426.33 g/mol
Exact Mass425.11
IUPAC Name(5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ncc(F)cc1Br)C2
InChIInChI=1S/C19H25BrFN3O2/c20-16-10-13(21)11-22-17(16)23-8-1-6-19(12-23)7-9-24(18(19)26)14-2-4-15(25)5-3-14/h10-11,14-15,25H,1-9,12H2/t14?,15?,19-/m1/s1
InChIKeyCYGKOULWNFLYGD-JFIBYHEFSA-N
XLogP3.11
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 58653472) is (5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CC[C@@]12CCCN(c1ncc(F)cc1Br)C2.
What is the InChIKey of (5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is CYGKOULWNFLYGD-JFIBYHEFSA-N. The full InChI is InChI=1S/C19H25BrFN3O2/c20-16-10-13(21)11-22-17(16)23-8-1-6-19(12-23)7-9-24(18(19)26)14-2-4-15(25)5-3-14/h10-11,14-15,25H,1-9,12H2/t14?,15?,19-/m1/s1.
What are the key properties of (5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 426.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-bromo-5-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).