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

C19H23N7O3 — CID 131651175

IUPAC6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)c1cnc(C)cn1)C2
InChIInChI=1S/C19H23N7O3/c1-13-6-21-16(8-20-13)18(29)24-5-4-19(11-24)12-25(15-7-22-23(3)9-15)17(28)10-26(19)14(2)27/h6-9H,4-5,10-12H2,1-3H3
InChIKeyIUFDQWIEJAUGOE-UHFFFAOYSA-N
MW397.44 g/mol
LogP-0.00
Rot. Bonds2

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

6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131651175) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131651175
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)c1cnc(C)cn1)C2
InChIInChI=1S/C19H23N7O3/c1-13-6-21-16(8-20-13)18(29)24-5-4-19(11-24)12-25(15-7-22-23(3)9-15)17(28)10-26(19)14(2)27/h6-9H,4-5,10-12H2,1-3H3
InChIKeyIUFDQWIEJAUGOE-UHFFFAOYSA-N
XLogP-0.00
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 131651175) is 6-acetyl-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-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)c1cnc(C)cn1)C2.
What is the InChIKey of 6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is IUFDQWIEJAUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-13-6-21-16(8-20-13)18(29)24-5-4-19(11-24)12-25(15-7-22-23(3)9-15)17(28)10-26(19)14(2)27/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 397.44 g/mol, XLogP of -0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131651175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).