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

C20H21F3N4O — CID 58653512

IUPAC(5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccncc1N1CC[C@@]2(CCCN(c3ccc(C(F)(F)F)cn3)C2)C1=O
InChIInChI=1S/C20H21F3N4O/c1-14-5-8-24-12-16(14)27-10-7-19(18(27)28)6-2-9-26(13-19)17-4-3-15(11-25-17)20(21,22)23/h3-5,8,11-12H,2,6-7,9-10,13H2,1H3/t19-/m1/s1
InChIKeyQJMWBMJYVAUFFN-LJQANCHMSA-N
MW390.41 g/mol
LogP3.83
Rot. Bonds2

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

(5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653512) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is (5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653512
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name(5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1ccncc1N1CC[C@@]2(CCCN(c3ccc(C(F)(F)F)cn3)C2)C1=O
InChIInChI=1S/C20H21F3N4O/c1-14-5-8-24-12-16(14)27-10-7-19(18(27)28)6-2-9-26(13-19)17-4-3-15(11-25-17)20(21,22)23/h3-5,8,11-12H,2,6-7,9-10,13H2,1H3/t19-/m1/s1
InChIKeyQJMWBMJYVAUFFN-LJQANCHMSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (CID 58653512) is (5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1ccncc1N1CC[C@@]2(CCCN(c3ccc(C(F)(F)F)cn3)C2)C1=O.
What is the InChIKey of (5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is QJMWBMJYVAUFFN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-14-5-8-24-12-16(14)27-10-7-19(18(27)28)6-2-9-26(13-19)17-4-3-15(11-25-17)20(21,22)23/h3-5,8,11-12H,2,6-7,9-10,13H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
(5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 390.41 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-methyl-3-pyridinyl)-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).