(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone

C17H26N4O2 — CID 154818816

IUPAC(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
SMILESCN1CCN(C(=O)C2CCn3nccc3C2)CC12CCOCC2
InChIInChI=1S/C17H26N4O2/c1-19-8-9-20(13-17(19)4-10-23-11-5-17)16(22)14-3-7-21-15(12-14)2-6-18-21/h2,6,14H,3-5,7-13H2,1H3
InChIKeyXYBOVPYGZBFMKL-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.77
Rot. Bonds1

About (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone

(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone (PubChem CID 154818816) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
PubChem CID154818816
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
SMILESCN1CCN(C(=O)C2CCn3nccc3C2)CC12CCOCC2
InChIInChI=1S/C17H26N4O2/c1-19-8-9-20(13-17(19)4-10-23-11-5-17)16(22)14-3-7-21-15(12-14)2-6-18-21/h2,6,14H,3-5,7-13H2,1H3
InChIKeyXYBOVPYGZBFMKL-UHFFFAOYSA-N
XLogP0.77
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone?
The IUPAC name of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone (CID 154818816) is (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone.
What is the SMILES notation for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone?
The canonical SMILES for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone is CN1CCN(C(=O)C2CCn3nccc3C2)CC12CCOCC2.
What is the InChIKey of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone?
The InChIKey is XYBOVPYGZBFMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-8-9-20(13-17(19)4-10-23-11-5-17)16(22)14-3-7-21-15(12-14)2-6-18-21/h2,6,14H,3-5,7-13H2,1H3.
What are the key properties of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone?
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone is sourced from PubChem (CID 154818816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).