7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

C17H20N4O2 — CID 134076700

IUPAC7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1cnc(OC2COC3(CCN(Cc4ccncc4)C3)C2)nc1
InChIInChI=1S/C17H20N4O2/c1-5-19-16(20-6-1)23-15-10-17(22-12-15)4-9-21(13-17)11-14-2-7-18-8-3-14/h1-3,5-8,15H,4,9-13H2
InChIKeyOWQCQHKAGMKASH-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.68
Rot. Bonds4

About 7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane

7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 134076700) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
PubChem CID134076700
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
SMILESc1cnc(OC2COC3(CCN(Cc4ccncc4)C3)C2)nc1
InChIInChI=1S/C17H20N4O2/c1-5-19-16(20-6-1)23-15-10-17(22-12-15)4-9-21(13-17)11-14-2-7-18-8-3-14/h1-3,5-8,15H,4,9-13H2
InChIKeyOWQCQHKAGMKASH-UHFFFAOYSA-N
XLogP1.68
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419260
(3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124520565
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97420082
(3S,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97419877
(3R,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420051
(3S,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124821973
(3R,5S)-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97477913
7-[(2-methoxy-3-pyridinyl)methyl]-3-phenoxy-1-oxa-7-azaspiro[4.4]nonane
CID 134071071
(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394443
(3S,5S)-7-methylsulfonyl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124521699
(3S)-8-(pyridin-3-ylmethyl)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decane
CID 97419188

Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane (CID 134076700) is 7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is c1cnc(OC2COC3(CCN(Cc4ccncc4)C3)C2)nc1.
What is the InChIKey of 7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is OWQCQHKAGMKASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-5-19-16(20-6-1)23-15-10-17(22-12-15)4-9-21(13-17)11-14-2-7-18-8-3-14/h1-3,5-8,15H,4,9-13H2.
What are the key properties of 7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane?
7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 312.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-4-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 134076700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).