(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one

C17H21N5O2 — CID 125167277

IUPAC(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one
SMILESCN1C[C@]2(CCCN(C(=O)c3cccn4cnnc34)C2)CCC1=O
InChIInChI=1S/C17H21N5O2/c1-20-10-17(7-5-14(20)23)6-3-9-21(11-17)16(24)13-4-2-8-22-12-18-19-15(13)22/h2,4,8,12H,3,5-7,9-11H2,1H3/t17-/m0/s1
InChIKeyPQAVIXZSYMCTRQ-KRWDZBQOSA-N
MW327.39 g/mol
LogP1.20
Rot. Bonds1

About (6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one

(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one (PubChem CID 125167277) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one.

Molecular Properties

Compound Name(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one
PubChem CID125167277
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one
SMILESCN1C[C@]2(CCCN(C(=O)c3cccn4cnnc34)C2)CCC1=O
InChIInChI=1S/C17H21N5O2/c1-20-10-17(7-5-14(20)23)6-3-9-21(11-17)16(24)13-4-2-8-22-12-18-19-15(13)22/h2,4,8,12H,3,5-7,9-11H2,1H3/t17-/m0/s1
InChIKeyPQAVIXZSYMCTRQ-KRWDZBQOSA-N
XLogP1.20
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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
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
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625
2-(2-methoxyethyl)-8-(2-methylsulfanylbenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72914540
2-[(6R)-3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]benzonitrile
CID 97279265
2-butyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70713127
(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 146039271
2-(3-methylbutyl)-8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70714987
(6R)-8-(2-ethoxypyridine-3-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97131052
(2R)-1-[9-(imidazo[1,5-a]pyridine-8-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-phenylpropan-1-one
CID 171682088

Frequently Asked Questions

What is the IUPAC name of (6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one?
The IUPAC name of (6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one (CID 125167277) is (6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one.
What is the SMILES notation for (6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one?
The canonical SMILES for (6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one is CN1C[C@]2(CCCN(C(=O)c3cccn4cnnc34)C2)CCC1=O.
What is the InChIKey of (6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one?
The InChIKey is PQAVIXZSYMCTRQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-20-10-17(7-5-14(20)23)6-3-9-21(11-17)16(24)13-4-2-8-22-12-18-19-15(13)22/h2,4,8,12H,3,5-7,9-11H2,1H3/t17-/m0/s1.
What are the key properties of (6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one?
(6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one has a molecular weight of 327.39 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-methyl-2-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,8-diazaspiro[5.5]undecan-9-one is sourced from PubChem (CID 125167277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).