[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone

C20H25N5O2 — CID 97375074

IUPAC[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
SMILESCOC[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)CN1c1ncccn1
InChIInChI=1S/C20H25N5O2/c1-27-14-17-12-20(15-25(17)19-22-8-3-9-23-19)5-10-24(11-6-20)18(26)16-4-2-7-21-13-16/h2-4,7-9,13,17H,5-6,10-12,14-15H2,1H3/t17-/m1/s1
InChIKeyAQUUGNSYEHATIW-QGZVFWFLSA-N
MW367.45 g/mol
LogP2.02
Rot. Bonds4

About [(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone

[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone (PubChem CID 97375074) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
PubChem CID97375074
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
SMILESCOC[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)CN1c1ncccn1
InChIInChI=1S/C20H25N5O2/c1-27-14-17-12-20(15-25(17)19-22-8-3-9-23-19)5-10-24(11-6-20)18(26)16-4-2-7-21-13-16/h2-4,7-9,13,17H,5-6,10-12,14-15H2,1H3/t17-/m1/s1
InChIKeyAQUUGNSYEHATIW-QGZVFWFLSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131655883
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131679665
8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743446
(6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131681940
3-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118747096
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131680347
(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475712
8-(furan-3-ylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 131646590
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124985805
pyridin-3-yl-[(3S)-3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418449
[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-2-pyridinyl)methanone
CID 131663252

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone (CID 97375074) is [(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone is COC[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)CN1c1ncccn1.
What is the InChIKey of [(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
The InChIKey is AQUUGNSYEHATIW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-14-17-12-20(15-25(17)19-22-8-3-9-23-19)5-10-24(11-6-20)18(26)16-4-2-7-21-13-16/h2-4,7-9,13,17H,5-6,10-12,14-15H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone?
[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 97375074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).