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

C20H25ClF3N3O2 — CID 11618879

IUPAC9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncc(C(F)(F)F)cc1Cl)C2
InChIInChI=1S/C20H25ClF3N3O2/c21-16-10-13(20(22,23)24)11-25-17(16)26-8-1-6-19(12-26)7-9-27(18(19)29)14-2-4-15(28)5-3-14/h10-11,14-15,28H,1-9,12H2
InChIKeyKSDNSSOOPYUQBH-UHFFFAOYSA-N
MW431.89 g/mol
LogP3.88
Rot. Bonds2

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

9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11618879) has the molecular formula C20H25ClF3N3O2 and a molecular weight of 431.89 g/mol. Its IUPAC name is 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11618879
Molecular FormulaC20H25ClF3N3O2
Molecular Weight431.89 g/mol
Exact Mass431.16
IUPAC Name9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncc(C(F)(F)F)cc1Cl)C2
InChIInChI=1S/C20H25ClF3N3O2/c21-16-10-13(20(22,23)24)11-25-17(16)26-8-1-6-19(12-26)7-9-27(18(19)29)14-2-4-15(28)5-3-14/h10-11,14-15,28H,1-9,12H2
InChIKeyKSDNSSOOPYUQBH-UHFFFAOYSA-N
XLogP3.88
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 11618879) is 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncc(C(F)(F)F)cc1Cl)C2.
What is the InChIKey of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is KSDNSSOOPYUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClF3N3O2/c21-16-10-13(20(22,23)24)11-25-17(16)26-8-1-6-19(12-26)7-9-27(18(19)29)14-2-4-15(28)5-3-14/h10-11,14-15,28H,1-9,12H2.
What are the key properties of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 431.89 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11618879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).