1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone

C20H23N5O3 — CID 131932995

IUPAC1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCOC2(CCN(C(=O)c3cnccn3)CC2)C1
InChIInChI=1S/C20H23N5O3/c26-18(13-16-1-5-21-6-2-16)25-11-12-28-20(15-25)3-9-24(10-4-20)19(27)17-14-22-7-8-23-17/h1-2,5-8,14H,3-4,9-13,15H2
InChIKeyWFXZMQRYMQPBBI-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.95
Rot. Bonds3

About 1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone

1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone (PubChem CID 131932995) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone
PubChem CID131932995
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCOC2(CCN(C(=O)c3cnccn3)CC2)C1
InChIInChI=1S/C20H23N5O3/c26-18(13-16-1-5-21-6-2-16)25-11-12-28-20(15-25)3-9-24(10-4-20)19(27)17-14-22-7-8-23-17/h1-2,5-8,14H,3-4,9-13,15H2
InChIKeyWFXZMQRYMQPBBI-UHFFFAOYSA-N
XLogP0.95
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-amino-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 131951034
pyrazin-2-yl-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450788
pyrazin-2-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97372269
1-[(6R)-4-(pyrazine-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97415961
[9-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155832396
pyrazin-2-yl-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131639207
pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 125005681
1-[9-[(3S)-oxolan-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-3-ylethanone
CID 97450931
9-(pyrazine-2-carbonyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451112
(2R)-N,N-dimethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605758
[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97492101

Frequently Asked Questions

What is the IUPAC name of 1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone (CID 131932995) is 1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCOC2(CCN(C(=O)c3cnccn3)CC2)C1.
What is the InChIKey of 1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone?
The InChIKey is WFXZMQRYMQPBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-18(13-16-1-5-21-6-2-16)25-11-12-28-20(15-25)3-9-24(10-4-20)19(27)17-14-22-7-8-23-17/h1-2,5-8,14H,3-4,9-13,15H2.
What are the key properties of 1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone?
1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone has a molecular weight of 381.44 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(pyrazine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 131932995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).