(6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H26N6O2 — CID 97117803

IUPAC(6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2C[C@]3(CCCN(C(=O)c4nccn4C)C3)CCC2=O)cn1
InChIInChI=1S/C20H26N6O2/c1-15-10-23-16(11-22-15)12-26-14-20(6-4-17(26)27)5-3-8-25(13-20)19(28)18-21-7-9-24(18)2/h7,9-11H,3-6,8,12-14H2,1-2H3/t20-/m1/s1
InChIKeyHIRVBVBQJLPQHF-HXUWFJFHSA-N
MW382.47 g/mol
LogP1.56
Rot. Bonds3

About (6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97117803) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97117803
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name(6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2C[C@]3(CCCN(C(=O)c4nccn4C)C3)CCC2=O)cn1
InChIInChI=1S/C20H26N6O2/c1-15-10-23-16(11-22-15)12-26-14-20(6-4-17(26)27)5-3-8-25(13-20)19(28)18-21-7-9-24(18)2/h7,9-11H,3-6,8,12-14H2,1-2H3/t20-/m1/s1
InChIKeyHIRVBVBQJLPQHF-HXUWFJFHSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97117803) is (6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4nccn4C)C3)CCC2=O)cn1.
What is the InChIKey of (6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is HIRVBVBQJLPQHF-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-15-10-23-16(11-22-15)12-26-14-20(6-4-17(26)27)5-3-8-25(13-20)19(28)18-21-7-9-24(18)2/h7,9-11H,3-6,8,12-14H2,1-2H3/t20-/m1/s1.
What are the key properties of (6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.47 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97117803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).