pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone

C18H21N5O2 — CID 118739263

IUPACpyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone
SMILESO=C(c1cccnc1)N1CCOCC2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H21N5O2/c24-16(15-3-1-5-19-11-15)22-9-10-25-14-18(12-22)4-8-23(13-18)17-20-6-2-7-21-17/h1-3,5-7,11H,4,8-10,12-14H2
InChIKeyCGRGYKYFHGSBQI-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.24
Rot. Bonds2

About pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone

pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone (PubChem CID 118739263) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone
PubChem CID118739263
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Namepyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone
SMILESO=C(c1cccnc1)N1CCOCC2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H21N5O2/c24-16(15-3-1-5-19-11-15)22-9-10-25-14-18(12-22)4-8-23(13-18)17-20-6-2-7-21-17/h1-3,5-7,11H,4,8-10,12-14H2
InChIKeyCGRGYKYFHGSBQI-UHFFFAOYSA-N
XLogP1.24
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone with MolForge

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Related Compounds

US10906888, Example 1
CID 139580302
5,11-Dihydro-11-ethyl-5-methyl-2-morpholino-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
CID 463551
2-[4-(3-Pyridinylcarbonyl)-1-piperazinyl]pyrimidine
CID 584238
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 146592627
Morpholin-4-yl-(6-morpholin-4-yl-pyridin-3-yl)-methanone
CID 647844
(6-Morpholin-4-yl-pyridin-3-yl)-piperidin-1-yl-methanone
CID 655061
[6-(3-Methoxypyrrolidin-1-yl)pyridin-3-yl][(3R)-3-methyl-1,4'-bipiperidin-1'-yl]methanone
CID 118190171
US10906888, Example 20
CID 134177670
US10906888, Example 4
CID 139580306
US10906888, Example 11
CID 139580339
US10906888, Example 2
CID 139580342
US10906888, Example 6
CID 139580375

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone?
The IUPAC name of pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone (CID 118739263) is pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone.
What is the SMILES notation for pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone?
The canonical SMILES for pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone is O=C(c1cccnc1)N1CCOCC2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone?
The InChIKey is CGRGYKYFHGSBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16(15-3-1-5-19-11-15)22-9-10-25-14-18(12-22)4-8-23(13-18)17-20-6-2-7-21-17/h1-3,5-7,11H,4,8-10,12-14H2.
What are the key properties of pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone?
pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-(2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone is sourced from PubChem (CID 118739263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).