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

C19H29N5O3 — CID 97146846

IUPAC2-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
SMILESCCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCc3nn(C)c(=O)n3C1)CC2
InChIInChI=1S/C19H29N5O3/c1-3-22-13-19(7-6-16(22)25)8-10-23(11-9-19)17(26)14-4-5-15-20-21(2)18(27)24(15)12-14/h14H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyRFQOYRSLQDTHLN-AWEZNQCLSA-N
MW375.47 g/mol
LogP0.40
Rot. Bonds2

About 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

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 (PubChem CID 97146846) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID97146846
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-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
SMILESCCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCc3nn(C)c(=O)n3C1)CC2
InChIInChI=1S/C19H29N5O3/c1-3-22-13-19(7-6-16(22)25)8-10-23(11-9-19)17(26)14-4-5-15-20-21(2)18(27)24(15)12-14/h14H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyRFQOYRSLQDTHLN-AWEZNQCLSA-N
XLogP0.40
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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-[(1R,9aR)-octahydro-2H-quinolizin-1-ylcarbonyl]piperidin-4-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56704431
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-Isobutyl-8-[(2-methyl-3-oxo-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72860753
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
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
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
(6R)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100339946
(6S)-6-(4-ethyl-3,3-dimethylpiperazine-1-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 124680107

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCc3nn(C)c(=O)n3C1)CC2.
What is the InChIKey of 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?
The InChIKey is RFQOYRSLQDTHLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-22-13-19(7-6-16(22)25)8-10-23(11-9-19)17(26)14-4-5-15-20-21(2)18(27)24(15)12-14/h14H,3-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 375.47 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97146846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).