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

C17H19N5O — CID 97469532

IUPAC(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(c3ncccn3)CC2)C[C@H]1c1cccnc1
InChIInChI=1S/C17H19N5O/c23-15-14(13-3-1-6-18-12-13)11-17(21-15)4-9-22(10-5-17)16-19-7-2-8-20-16/h1-3,6-8,12,14H,4-5,9-11H2,(H,21,23)/t14-/m0/s1
InChIKeyPXNRRSSKVNPYEL-AWEZNQCLSA-N
MW309.37 g/mol
LogP1.51
Rot. Bonds2

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

(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469532) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469532
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(c3ncccn3)CC2)C[C@H]1c1cccnc1
InChIInChI=1S/C17H19N5O/c23-15-14(13-3-1-6-18-12-13)11-17(21-15)4-9-22(10-5-17)16-19-7-2-8-20-16/h1-3,6-8,12,14H,4-5,9-11H2,(H,21,23)/t14-/m0/s1
InChIKeyPXNRRSSKVNPYEL-AWEZNQCLSA-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

(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469612
(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469534
3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653725
(3R)-3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391633
(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469527
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
8-(2-methylbenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155842799
8-(3-fluorobenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155830883
3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 119070010
8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131654715
(3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97406702
8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072418

Frequently Asked Questions

What is the IUPAC name of (3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97469532) is (3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(c3ncccn3)CC2)C[C@H]1c1cccnc1.
What is the InChIKey of (3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PXNRRSSKVNPYEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O/c23-15-14(13-3-1-6-18-12-13)11-17(21-15)4-9-22(10-5-17)16-19-7-2-8-20-16/h1-3,6-8,12,14H,4-5,9-11H2,(H,21,23)/t14-/m0/s1.
What are the key properties of (3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
(3S)-3-pyridin-3-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 (3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).