(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone

C18H27N3O2 — CID 122134889

IUPAC(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESCc1ncc2n1CC(C(=O)N1CCOC3(CCCCC3)C1)CC2
InChIInChI=1S/C18H27N3O2/c1-14-19-11-16-6-5-15(12-21(14)16)17(22)20-9-10-23-18(13-20)7-3-2-4-8-18/h11,15H,2-10,12-13H2,1H3
InChIKeyIDIGWQGAHWWTPE-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.32
Rot. Bonds1

About (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone

(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone (PubChem CID 122134889) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
PubChem CID122134889
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
SMILESCc1ncc2n1CC(C(=O)N1CCOC3(CCCCC3)C1)CC2
InChIInChI=1S/C18H27N3O2/c1-14-19-11-16-6-5-15(12-21(14)16)17(22)20-9-10-23-18(13-20)7-3-2-4-8-18/h11,15H,2-10,12-13H2,1H3
InChIKeyIDIGWQGAHWWTPE-UHFFFAOYSA-N
XLogP2.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone with MolForge

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Related Compounds

cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
CID 102553114
[4-[3-(dimethylamino)propyl]piperidin-1-yl]-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)methanone
CID 167797428
2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide
CID 122134891
(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134875
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97232339
6-oxa-9-azaspiro[4.5]decan-9-yl-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97232340
(4-methyl-1H-pyrazol-5-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122159663
(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131908824
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
cyclobutyl-[9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 131905481
formic acid;(1-methylpyrrolidin-3-yl)-[9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 154913194
1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone
CID 127875131

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone (CID 122134889) is (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone is Cc1ncc2n1CC(C(=O)N1CCOC3(CCCCC3)C1)CC2.
What is the InChIKey of (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is IDIGWQGAHWWTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-19-11-16-6-5-15(12-21(14)16)17(22)20-9-10-23-18(13-20)7-3-2-4-8-18/h11,15H,2-10,12-13H2,1H3.
What are the key properties of (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone?
(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 122134889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).