2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole

C20H21F2N7O — CID 169166186

IUPAC2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(N2CCc3[nH]cnc3[C@@H]2c2cc3c(C(F)F)cccn3n2)o1
InChIInChI=1S/C20H21F2N7O/c1-20(2,3)18-25-26-19(30-18)28-8-6-12-15(24-10-23-12)16(28)13-9-14-11(17(21)22)5-4-7-29(14)27-13/h4-5,7,9-10,16-17H,6,8H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyJMCWEUQPZCBBMN-INIZCTEOSA-N
MW413.43 g/mol
LogP3.83
Rot. Bonds3

About 2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole

2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (PubChem CID 169166186) has the molecular formula C20H21F2N7O and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
PubChem CID169166186
Molecular FormulaC20H21F2N7O
Molecular Weight413.43 g/mol
Exact Mass413.18
IUPAC Name2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(N2CCc3[nH]cnc3[C@@H]2c2cc3c(C(F)F)cccn3n2)o1
InChIInChI=1S/C20H21F2N7O/c1-20(2,3)18-25-26-19(30-18)28-8-6-12-15(24-10-23-12)16(28)13-9-14-11(17(21)22)5-4-7-29(14)27-13/h4-5,7,9-10,16-17H,6,8H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyJMCWEUQPZCBBMN-INIZCTEOSA-N
XLogP3.83
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-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-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (CID 169166186) is 2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is CC(C)(C)c1nnc(N2CCc3[nH]cnc3[C@@H]2c2cc3c(C(F)F)cccn3n2)o1.
What is the InChIKey of 2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?
The InChIKey is JMCWEUQPZCBBMN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21F2N7O/c1-20(2,3)18-25-26-19(30-18)28-8-6-12-15(24-10-23-12)16(28)13-9-14-11(17(21)22)5-4-7-29(14)27-13/h4-5,7,9-10,16-17H,6,8H2,1-3H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?
2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole has a molecular weight of 413.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 169166186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).