2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole

C21H14ClF2N7O — CID 170332875

IUPAC2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(F)c1-c1nnc(N2CCc3[nH]cnc3C2c2cc3c(Cl)cccn3n2)o1
InChIInChI=1S/C21H14ClF2N7O/c22-11-3-2-7-31-16(11)9-15(29-31)19-18-14(25-10-26-18)6-8-30(19)21-28-27-20(32-21)17-12(23)4-1-5-13(17)24/h1-5,7,9-10,19H,6,8H2,(H,25,26)
InChIKeyHEWJRRDJMTURQV-UHFFFAOYSA-N
MW453.84 g/mol
LogP4.19
Rot. Bonds3

About 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole

2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole (PubChem CID 170332875) has the molecular formula C21H14ClF2N7O and a molecular weight of 453.84 g/mol. Its IUPAC name is 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
PubChem CID170332875
Molecular FormulaC21H14ClF2N7O
Molecular Weight453.84 g/mol
Exact Mass453.09
IUPAC Name2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(F)c1-c1nnc(N2CCc3[nH]cnc3C2c2cc3c(Cl)cccn3n2)o1
InChIInChI=1S/C21H14ClF2N7O/c22-11-3-2-7-31-16(11)9-15(29-31)19-18-14(25-10-26-18)6-8-30(19)21-28-27-20(32-21)17-12(23)4-1-5-13(17)24/h1-5,7,9-10,19H,6,8H2,(H,25,26)
InChIKeyHEWJRRDJMTURQV-UHFFFAOYSA-N
XLogP4.19
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole (CID 170332875) is 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole is Fc1cccc(F)c1-c1nnc(N2CCc3[nH]cnc3C2c2cc3c(Cl)cccn3n2)o1.
What is the InChIKey of 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole?
The InChIKey is HEWJRRDJMTURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N7O/c22-11-3-2-7-31-16(11)9-15(29-31)19-18-14(25-10-26-18)6-8-30(19)21-28-27-20(32-21)17-12(23)4-1-5-13(17)24/h1-5,7,9-10,19H,6,8H2,(H,25,26).
What are the key properties of 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole?
2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole has a molecular weight of 453.84 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2,6-difluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 170332875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).