8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C20H31N5O3 — CID 72860753

IUPAC8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)C3CCc4nn(C)c(=O)n4C3)CC2)CC1=O
InChIInChI=1S/C20H31N5O3/c1-14(2)11-24-13-20(10-17(24)26)6-8-23(9-7-20)18(27)15-4-5-16-21-22(3)19(28)25(16)12-15/h14-15H,4-13H2,1-3H3
InChIKeyPHAJSMJIBAZQEH-UHFFFAOYSA-N
MW389.50 g/mol
LogP0.64
Rot. Bonds3

About 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72860753) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72860753
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)C3CCc4nn(C)c(=O)n4C3)CC2)CC1=O
InChIInChI=1S/C20H31N5O3/c1-14(2)11-24-13-20(10-17(24)26)6-8-23(9-7-20)18(27)15-4-5-16-21-22(3)19(28)25(16)12-15/h14-15H,4-13H2,1-3H3
InChIKeyPHAJSMJIBAZQEH-UHFFFAOYSA-N
XLogP0.64
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Launch Full Analysis

Related Compounds

8-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97191764
4-ethyl-2-methyl-5-{[1-(4-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56703835
4-ethyl-5-{1-[(1-isobutyl-5-oxopyrrolidin-3-yl)carbonyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56759151
6-[(4-ethyl-3,3-dimethylpiperazin-1-yl)carbonyl]-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 91798335
2-Ethyl-9-[(2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72919922
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 91791504
6-{[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]carbonyl}-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 91797820
4-ethyl-2-methyl-5-[1-[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 95229193
4-ethyl-2-methyl-5-[1-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 95229194
2-ethyl-9-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97146845
2-ethyl-9-[(6S)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97146846
8-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97191763

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72860753) is 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)CN1CC2(CCN(C(=O)C3CCc4nn(C)c(=O)n4C3)CC2)CC1=O.
What is the InChIKey of 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PHAJSMJIBAZQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-14(2)11-24-13-20(10-17(24)26)6-8-23(9-7-20)18(27)15-4-5-16-21-22(3)19(28)25(16)12-15/h14-15H,4-13H2,1-3H3.
What are the key properties of 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 389.50 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72860753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).