2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole

C14H21N5O — CID 164635463

IUPAC2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole
SMILESC[C@H]1CN(Cc2nnc(C(C)(C)C)o2)Cc2cn[nH]c21
InChIInChI=1S/C14H21N5O/c1-9-6-19(7-10-5-15-17-12(9)10)8-11-16-18-13(20-11)14(2,3)4/h5,9H,6-8H2,1-4H3,(H,15,17)/t9-/m0/s1
InChIKeyFNQBKQSXIMYKNC-VIFPVBQESA-N
MW275.36 g/mol
LogP2.21
Rot. Bonds2

About 2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole

2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole (PubChem CID 164635463) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole
PubChem CID164635463
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole
SMILESC[C@H]1CN(Cc2nnc(C(C)(C)C)o2)Cc2cn[nH]c21
InChIInChI=1S/C14H21N5O/c1-9-6-19(7-10-5-15-17-12(9)10)8-11-16-18-13(20-11)14(2,3)4/h5,9H,6-8H2,1-4H3,(H,15,17)/t9-/m0/s1
InChIKeyFNQBKQSXIMYKNC-VIFPVBQESA-N
XLogP2.21
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 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) is 2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole is C[C@H]1CN(Cc2nnc(C(C)(C)C)o2)Cc2cn[nH]c21.
What is the InChIKey of 2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is FNQBKQSXIMYKNC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-6-19(7-10-5-15-17-12(9)10)8-11-16-18-13(20-11)14(2,3)4/h5,9H,6-8H2,1-4H3,(H,15,17)/t9-/m0/s1.
What are the key properties of 2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole?
2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 275.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 164635463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).