(5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H19N5O3S — CID 97491684

IUPAC(5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C(=O)c4cccs4)C3)C2)cn1
InChIInChI=1S/C18H19N5O3S/c1-12-8-20-13(9-19-12)10-21-16(24)14-7-18(26-22-14)4-5-23(11-18)17(25)15-3-2-6-27-15/h2-3,6,8-9H,4-5,7,10-11H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyCSWQTLQPMSNSGG-SFHVURJKSA-N
MW385.45 g/mol
LogP1.52
Rot. Bonds4

About (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491684) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491684
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name(5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C(=O)c4cccs4)C3)C2)cn1
InChIInChI=1S/C18H19N5O3S/c1-12-8-20-13(9-19-12)10-21-16(24)14-7-18(26-22-14)4-5-23(11-18)17(25)15-3-2-6-27-15/h2-3,6,8-9H,4-5,7,10-11H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyCSWQTLQPMSNSGG-SFHVURJKSA-N
XLogP1.52
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide with MolForge

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Related Compounds

7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131653882
N-[(5-methylpyrazin-2-yl)methyl]-7-(oxolane-3-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131653217
N-[(5-methylpyrazin-2-yl)methyl]-7-(2-phenylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131649252
N-pyridin-3-yl-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131663228
N-[(4-fluorophenyl)methyl]-7-(5-methylpyrazine-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131657089
7-(4-ethylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131643069
(5R)-7-(4-ethylphenyl)sulfonyl-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491692
(5S)-9-(3-methylthiophene-2-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97491073
N-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131639538
8-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 67393326
(5S)-N-[(4-methylphenyl)methyl]-9-(3-methylthiophene-2-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97491136
(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491420

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491684) is (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1cnc(CNC(=O)C2=NO[C@@]3(CCN(C(=O)c4cccs4)C3)C2)cn1.
What is the InChIKey of (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is CSWQTLQPMSNSGG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-12-8-20-13(9-19-12)10-21-16(24)14-7-18(26-22-14)4-5-23(11-18)17(25)15-3-2-6-27-15/h2-3,6,8-9H,4-5,7,10-11H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).