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

C19H25ClFN3O2 — CID 66722584

IUPAC9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncc(Cl)cc1F)C2
InChIInChI=1S/C19H25ClFN3O2/c20-13-10-16(21)17(22-11-13)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
InChIKeyQNCNTGQQXCUIBN-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.00
Rot. Bonds2

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

9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 66722584) has the molecular formula C19H25ClFN3O2 and a molecular weight of 381.88 g/mol. Its IUPAC name is 9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID66722584
Molecular FormulaC19H25ClFN3O2
Molecular Weight381.88 g/mol
Exact Mass381.16
IUPAC Name9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncc(Cl)cc1F)C2
InChIInChI=1S/C19H25ClFN3O2/c20-13-10-16(21)17(22-11-13)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
InChIKeyQNCNTGQQXCUIBN-UHFFFAOYSA-N
XLogP3.00
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 66722584) is 9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncc(Cl)cc1F)C2.
What is the InChIKey of 9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is QNCNTGQQXCUIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN3O2/c20-13-10-16(21)17(22-11-13)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.
What are the key properties of 9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 381.88 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 66722584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).