6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one

C18H23N7O2 — CID 131643447

IUPAC6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCc1cnc(C(=O)N2CCC3(C2)CN(c2cnn(C)c2)C(=O)CN3C)cn1
InChIInChI=1S/C18H23N7O2/c1-13-6-20-15(8-19-13)17(27)24-5-4-18(11-24)12-25(16(26)10-22(18)2)14-7-21-23(3)9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyDTVGKFATJZBVLE-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.08
Rot. Bonds2

About 6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131643447) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131643447
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCc1cnc(C(=O)N2CCC3(C2)CN(c2cnn(C)c2)C(=O)CN3C)cn1
InChIInChI=1S/C18H23N7O2/c1-13-6-20-15(8-19-13)17(27)24-5-4-18(11-24)12-25(16(26)10-22(18)2)14-7-21-23(3)9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyDTVGKFATJZBVLE-UHFFFAOYSA-N
XLogP0.08
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 131643447) is 6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is Cc1cnc(C(=O)N2CCC3(C2)CN(c2cnn(C)c2)C(=O)CN3C)cn1.
What is the InChIKey of 6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is DTVGKFATJZBVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-13-6-20-15(8-19-13)17(27)24-5-4-18(11-24)12-25(16(26)10-22(18)2)14-7-21-23(3)9-14/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 369.43 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131643447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).