(6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H25N5O2 — CID 125159084

IUPAC(6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1C[C@@]2(CCCN(C(=O)c3cccn4cnnc34)C2)CCC1=O
InChIInChI=1S/C19H25N5O2/c1-14(2)24-12-19(8-6-16(24)25)7-4-10-22(11-19)18(26)15-5-3-9-23-13-20-21-17(15)23/h3,5,9,13-14H,4,6-8,10-12H2,1-2H3/t19-/m0/s1
InChIKeyWTKFWSLHZYRVLP-IBGZPJMESA-N
MW355.44 g/mol
LogP1.98
Rot. Bonds2

About (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 125159084) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID125159084
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1C[C@@]2(CCCN(C(=O)c3cccn4cnnc34)C2)CCC1=O
InChIInChI=1S/C19H25N5O2/c1-14(2)24-12-19(8-6-16(24)25)7-4-10-22(11-19)18(26)15-5-3-9-23-13-20-21-17(15)23/h3,5,9,13-14H,4,6-8,10-12H2,1-2H3/t19-/m0/s1
InChIKeyWTKFWSLHZYRVLP-IBGZPJMESA-N
XLogP1.98
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one
CID 125167277
2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176500913
1-cyclopentyl-4-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)piperazin-2-one
CID 118785701
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 165419233
(2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one
CID 171682088
(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96580636
2-(3-methylbutyl)-8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70714987
2-(2-methoxyethyl)-8-(2-methylsulfanylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72914540
2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 70742647
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685
(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 146039271
(6R)-8-[1-(difluoromethyl)pyrazole-3-carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97129346

Frequently Asked Questions

What is the IUPAC name of (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 125159084) is (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CC(C)N1C[C@@]2(CCCN(C(=O)c3cccn4cnnc34)C2)CCC1=O.
What is the InChIKey of (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is WTKFWSLHZYRVLP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(2)24-12-19(8-6-16(24)25)7-4-10-22(11-19)18(26)15-5-3-9-23-13-20-21-17(15)23/h3,5,9,13-14H,4,6-8,10-12H2,1-2H3/t19-/m0/s1.
What are the key properties of (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 355.44 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-propan-2-yl-8-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 125159084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).