(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one

C17H19N5O — CID 97469612

IUPAC(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(c3ncccn3)CC2)C[C@@H]1c1ccncc1
InChIInChI=1S/C17H19N5O/c23-15-14(13-2-8-18-9-3-13)12-17(21-15)4-10-22(11-5-17)16-19-6-1-7-20-16/h1-3,6-9,14H,4-5,10-12H2,(H,21,23)/t14-/m1/s1
InChIKeyCSEFMFZDFLHJPX-CQSZACIVSA-N
MW309.37 g/mol
LogP1.51
Rot. Bonds2

About (3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one

(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469612) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469612
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(c3ncccn3)CC2)C[C@@H]1c1ccncc1
InChIInChI=1S/C17H19N5O/c23-15-14(13-2-8-18-9-3-13)12-17(21-15)4-10-22(11-5-17)16-19-6-1-7-20-16/h1-3,6-9,14H,4-5,10-12H2,(H,21,23)/t14-/m1/s1
InChIKeyCSEFMFZDFLHJPX-CQSZACIVSA-N
XLogP1.51
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469532
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 118742153
8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131651628
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985
4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131640509
3-pyridin-4-yl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;tris(2,2,2-trifluoroacetic acid)
CID 171686237
8-(furan-3-ylmethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118746825
3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 119070010
(3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 124914058
(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469534
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386

Frequently Asked Questions

What is the IUPAC name of (3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97469612) is (3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(c3ncccn3)CC2)C[C@@H]1c1ccncc1.
What is the InChIKey of (3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CSEFMFZDFLHJPX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O/c23-15-14(13-2-8-18-9-3-13)12-17(21-15)4-10-22(11-5-17)16-19-6-1-7-20-16/h1-3,6-9,14H,4-5,10-12H2,(H,21,23)/t14-/m1/s1.
What are the key properties of (3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 309.37 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).