(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C18H21N5O2 — CID 97469534

IUPAC(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(N2CCC3(CC2)C[C@H](c2cccnc2)C(=O)N3)ncn1
InChIInChI=1S/C18H21N5O2/c1-25-16-9-15(20-12-21-16)23-7-4-18(5-8-23)10-14(17(24)22-18)13-3-2-6-19-11-13/h2-3,6,9,11-12,14H,4-5,7-8,10H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyNSOYTLDRKPAOJE-CQSZACIVSA-N
MW339.40 g/mol
LogP1.52
Rot. Bonds3

About (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469534) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469534
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(N2CCC3(CC2)C[C@H](c2cccnc2)C(=O)N3)ncn1
InChIInChI=1S/C18H21N5O2/c1-25-16-9-15(20-12-21-16)23-7-4-18(5-8-23)10-14(17(24)22-18)13-3-2-6-19-11-13/h2-3,6,9,11-12,14H,4-5,7-8,10H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyNSOYTLDRKPAOJE-CQSZACIVSA-N
XLogP1.52
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-(6-methoxypyrimidin-4-yl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072418
(3S)-3-pyridin-3-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469532
(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469612
(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469527
methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate
CID 126434233
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
4-methoxy-6-(4-pyridin-3-yloxypiperidin-1-yl)pyrimidine
CID 50962504
(3R)-8-(4-methylquinolin-2-yl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190310
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-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97469534) is (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is COc1cc(N2CCC3(CC2)C[C@H](c2cccnc2)C(=O)N3)ncn1.
What is the InChIKey of (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NSOYTLDRKPAOJE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-16-9-15(20-12-21-16)23-7-4-18(5-8-23)10-14(17(24)22-18)13-3-2-6-19-11-13/h2-3,6,9,11-12,14H,4-5,7-8,10H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(6-methoxypyrimidin-4-yl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).