(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H25N5O2 — CID 97144190

IUPAC(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)ncn1
InChIInChI=1S/C20H25N5O2/c1-27-18-11-17(22-15-23-18)24-10-2-6-20(13-24)7-3-19(26)25(14-20)12-16-4-8-21-9-5-16/h4-5,8-9,11,15H,2-3,6-7,10,12-14H2,1H3/t20-/m1/s1
InChIKeyCGOLWQVXWOLGKF-HXUWFJFHSA-N
MW367.45 g/mol
LogP2.29
Rot. Bonds4

About (6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97144190) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97144190
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)ncn1
InChIInChI=1S/C20H25N5O2/c1-27-18-11-17(22-15-23-18)24-10-2-6-20(13-24)7-3-19(26)25(14-20)12-16-4-8-21-9-5-16/h4-5,8-9,11,15H,2-3,6-7,10,12-14H2,1H3/t20-/m1/s1
InChIKeyCGOLWQVXWOLGKF-HXUWFJFHSA-N
XLogP2.29
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-8-(5-methoxypyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95884972
8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725420
(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 97117074
(6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97148493
(6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97125821
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867499
(6S)-8-(2-methoxyacetyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95891961
(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870080
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268
2,2-dimethylpropyl 3-oxo-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 70749106
(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483578

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97144190) is (6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is COc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4ccncc4)C3)C2)ncn1.
What is the InChIKey of (6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is CGOLWQVXWOLGKF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-18-11-17(22-15-23-18)24-10-2-6-20(13-24)7-3-19(26)25(14-20)12-16-4-8-21-9-5-16/h4-5,8-9,11,15H,2-3,6-7,10,12-14H2,1H3/t20-/m1/s1.
What are the key properties of (6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 367.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97144190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).