3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one

C25H31FN4O2 — CID 172991650

IUPAC3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(OC2CC2)cnc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C25H31FN4O2/c1-17-13-21(32-20-7-8-20)15-27-22(17)30-16-24(28-23(30)31)9-11-25(12-10-24,29(2)3)18-5-4-6-19(26)14-18/h4-6,13-15,20H,7-12,16H2,1-3H3,(H,28,31)
InChIKeyWNZZBCRMJUAYFZ-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.37
Rot. Bonds5

About 3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one

3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 172991650) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID172991650
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1cc(OC2CC2)cnc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C25H31FN4O2/c1-17-13-21(32-20-7-8-20)15-27-22(17)30-16-24(28-23(30)31)9-11-25(12-10-24,29(2)3)18-5-4-6-19(26)14-18/h4-6,13-15,20H,7-12,16H2,1-3H3,(H,28,31)
InChIKeyWNZZBCRMJUAYFZ-UHFFFAOYSA-N
XLogP4.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one (CID 172991650) is 3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one is Cc1cc(OC2CC2)cnc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is WNZZBCRMJUAYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-17-13-21(32-20-7-8-20)15-27-22(17)30-16-24(28-23(30)31)9-11-25(12-10-24,29(2)3)18-5-4-6-19(26)14-18/h4-6,13-15,20H,7-12,16H2,1-3H3,(H,28,31).
What are the key properties of 3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one?
3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 438.55 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyloxy-3-methyl-2-pyridinyl)-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 172991650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).