(5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

C19H23N5O2 — CID 97450947

IUPAC(5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCc1cnc(C(=O)N2CCC3(CC2)CN(c2ccccn2)CCO3)cn1
InChIInChI=1S/C19H23N5O2/c1-15-12-22-16(13-21-15)18(25)23-8-5-19(6-9-23)14-24(10-11-26-19)17-4-2-3-7-20-17/h2-4,7,12-13H,5-6,8-11,14H2,1H3
InChIKeyLHDOXAGWQBMFQO-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.69
Rot. Bonds2

About (5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone

(5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 97450947) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID97450947
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCc1cnc(C(=O)N2CCC3(CC2)CN(c2ccccn2)CCO3)cn1
InChIInChI=1S/C19H23N5O2/c1-15-12-22-16(13-21-15)18(25)23-8-5-19(6-9-23)14-24(10-11-26-19)17-4-2-3-7-20-17/h2-4,7,12-13H,5-6,8-11,14H2,1H3
InChIKeyLHDOXAGWQBMFQO-UHFFFAOYSA-N
XLogP1.69
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 97450947) is (5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is Cc1cnc(C(=O)N2CCC3(CC2)CN(c2ccccn2)CCO3)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is LHDOXAGWQBMFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-15-12-22-16(13-21-15)18(25)23-8-5-19(6-9-23)14-24(10-11-26-19)17-4-2-3-7-20-17/h2-4,7,12-13H,5-6,8-11,14H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone?
(5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 353.43 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 97450947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).