N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C18H23N7O2 — CID 131682485

IUPACN-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NCCCn1ccnc1)C1=NOC2(CCCN(c3cnccn3)C2)C1
InChIInChI=1S/C18H23N7O2/c26-17(22-4-2-8-24-10-7-20-14-24)15-11-18(27-23-15)3-1-9-25(13-18)16-12-19-5-6-21-16/h5-7,10,12,14H,1-4,8-9,11,13H2,(H,22,26)
InChIKeyQFCJMYLALRRKJX-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.99
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131682485) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131682485
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NCCCn1ccnc1)C1=NOC2(CCCN(c3cnccn3)C2)C1
InChIInChI=1S/C18H23N7O2/c26-17(22-4-2-8-24-10-7-20-14-24)15-11-18(27-23-15)3-1-9-25(13-18)16-12-19-5-6-21-16/h5-7,10,12,14H,1-4,8-9,11,13H2,(H,22,26)
InChIKeyQFCJMYLALRRKJX-UHFFFAOYSA-N
XLogP0.99
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 124965049
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CID 124973495
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-(imidazol-1-ylmethyl)benzamide
CID 124957377
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CID 110485164
N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 47073596
2-(azepan-1-yl)-N-(3-imidazol-1-ylpropyl)-6-methylpyrimidine-4-carboxamide
CID 71689441
1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
CID 110492282
(5S)-9-N-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490840
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
pyrazin-2-yl-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131639207
5-(3-imidazol-1-ylpropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426639

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131682485) is N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NCCCn1ccnc1)C1=NOC2(CCCN(c3cnccn3)C2)C1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is QFCJMYLALRRKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c26-17(22-4-2-8-24-10-7-20-14-24)15-11-18(27-23-15)3-1-9-25(13-18)16-12-19-5-6-21-16/h5-7,10,12,14H,1-4,8-9,11,13H2,(H,22,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-9-pyrazin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131682485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).