(5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one

C19H27N5O3 — CID 97360222

IUPAC(5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1C[C@]2(CC1=O)CN(C(=O)c1cnccn1)CCN(C(=O)C(C)C)C2
InChIInChI=1S/C19H27N5O3/c1-4-22-11-19(9-16(22)25)12-23(17(26)14(2)3)7-8-24(13-19)18(27)15-10-20-5-6-21-15/h5-6,10,14H,4,7-9,11-13H2,1-3H3/t19-/m0/s1
InChIKeyMDSPFTLTJLUASZ-IBGZPJMESA-N
MW373.46 g/mol
LogP0.66
Rot. Bonds3

About (5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one

(5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one (PubChem CID 97360222) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is (5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name(5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
PubChem CID97360222
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name(5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1C[C@]2(CC1=O)CN(C(=O)c1cnccn1)CCN(C(=O)C(C)C)C2
InChIInChI=1S/C19H27N5O3/c1-4-22-11-19(9-16(22)25)12-23(17(26)14(2)3)7-8-24(13-19)18(27)15-10-20-5-6-21-15/h5-6,10,14H,4,7-9,11-13H2,1-3H3/t19-/m0/s1
InChIKeyMDSPFTLTJLUASZ-IBGZPJMESA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131650256
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131648352
2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72860043
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72866242
(5R)-2-ethyl-10-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360197
(5S)-2-ethyl-N-(3-methoxyphenyl)-10-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97385096
2-methylpropyl 4-(pyrazine-2-carbonyl)piperazine-1-carboxylate
CID 108569986
10-acetyl-2-ethyl-7-(1H-pyrrole-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131696238
(5S)-7-acetyl-2-ethyl-10-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360175
[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97385388

Frequently Asked Questions

What is the IUPAC name of (5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The IUPAC name of (5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one (CID 97360222) is (5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one.
What is the SMILES notation for (5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The canonical SMILES for (5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one is CCN1C[C@]2(CC1=O)CN(C(=O)c1cnccn1)CCN(C(=O)C(C)C)C2.
What is the InChIKey of (5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The InChIKey is MDSPFTLTJLUASZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N5O3/c1-4-22-11-19(9-16(22)25)12-23(17(26)14(2)3)7-8-24(13-19)18(27)15-10-20-5-6-21-15/h5-6,10,14H,4,7-9,11-13H2,1-3H3/t19-/m0/s1.
What are the key properties of (5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
(5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one has a molecular weight of 373.46 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-ethyl-7-(2-methylpropanoyl)-10-(pyrazine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 97360222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).