2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole

C12H17N5O — CID 128905208

IUPAC2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCCc3[nH]ncc32)o1
InChIInChI=1S/C12H17N5O/c1-8(2)12-16-15-11(18-12)7-17-5-3-4-9-10(17)6-13-14-9/h6,8H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyLHYVYJPQEHNXQW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.87
Rot. Bonds3

About 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole

2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole (PubChem CID 128905208) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole
PubChem CID128905208
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2CCCc3[nH]ncc32)o1
InChIInChI=1S/C12H17N5O/c1-8(2)12-16-15-11(18-12)7-17-5-3-4-9-10(17)6-13-14-9/h6,8H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyLHYVYJPQEHNXQW-UHFFFAOYSA-N
XLogP1.87
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole
CID 164635463
2-[3-(1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 126824153
2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 71892441
2-Methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
CID 58591099
2-methyl-5-[1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 51104515
2-methyl-5-[(1R)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 94800200
2-methyl-5-[(1S)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 94800201
2-tert-butyl-5-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 97075917
2-tert-butyl-5-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 97075918
2-(3,5-Dimethylpyrazol-1-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
CID 128155332
2-(4-Methylpyrazol-1-yl)-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)ethanone
CID 128155646
N-ethyl-2-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)acetamide
CID 129348805

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole (CID 128905208) is 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole is CC(C)c1nnc(CN2CCCc3[nH]ncc32)o1.
What is the InChIKey of 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is LHYVYJPQEHNXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)12-16-15-11(18-12)7-17-5-3-4-9-10(17)6-13-14-9/h6,8H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole?
2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 247.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 128905208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).