(1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide

C20H25N7O2 — CID 169418962

IUPAC(1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide
SMILESCC(C)c1nc(N2CC[C@@H]3C[C@@H](C(=O)NCc4nnc5ccccn45)[C@@H]3C2)no1
InChIInChI=1S/C20H25N7O2/c1-12(2)19-22-20(25-29-19)26-8-6-13-9-14(15(13)11-26)18(28)21-10-17-24-23-16-5-3-4-7-27(16)17/h3-5,7,12-15H,6,8-11H2,1-2H3,(H,21,28)/t13-,14-,15-/m1/s1
InChIKeyLANWXCOZFDFIQX-RBSFLKMASA-N
MW395.47 g/mol
LogP2.01
Rot. Bonds5

About (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide

(1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide (PubChem CID 169418962) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide.

Molecular Properties

Compound Name(1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide
PubChem CID169418962
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name(1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide
SMILESCC(C)c1nc(N2CC[C@@H]3C[C@@H](C(=O)NCc4nnc5ccccn45)[C@@H]3C2)no1
InChIInChI=1S/C20H25N7O2/c1-12(2)19-22-20(25-29-19)26-8-6-13-9-14(15(13)11-26)18(28)21-10-17-24-23-16-5-3-4-7-27(16)17/h3-5,7,12-15H,6,8-11H2,1-2H3,(H,21,28)/t13-,14-,15-/m1/s1
InChIKeyLANWXCOZFDFIQX-RBSFLKMASA-N
XLogP2.01
TPSA101.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365838
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
2-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64823445
2-methyl-N-[3-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 46448936
(1R,6S,8R)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-pyrimidin-2-yl-3-azabicyclo[4.2.0]octane-8-carboxamide
CID 170508501
cis-(1S,2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94035247
3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119833088
(1R,6S)-6-(1,3-benzothiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 51728576
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 60717518
2,3-dimethyl-4-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)but-2-enoic acid
CID 76992625
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 11935708
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 91765217

Frequently Asked Questions

What is the IUPAC name of (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide?
The IUPAC name of (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide (CID 169418962) is (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide.
What is the SMILES notation for (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide?
The canonical SMILES for (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide is CC(C)c1nc(N2CC[C@@H]3C[C@@H](C(=O)NCc4nnc5ccccn45)[C@@H]3C2)no1.
What is the InChIKey of (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide?
The InChIKey is LANWXCOZFDFIQX-RBSFLKMASA-N. The full InChI is InChI=1S/C20H25N7O2/c1-12(2)19-22-20(25-29-19)26-8-6-13-9-14(15(13)11-26)18(28)21-10-17-24-23-16-5-3-4-7-27(16)17/h3-5,7,12-15H,6,8-11H2,1-2H3,(H,21,28)/t13-,14-,15-/m1/s1.
What are the key properties of (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide?
(1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,8R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-azabicyclo[4.2.0]octane-8-carboxamide is sourced from PubChem (CID 169418962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).