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

C21H15ClFN7O — CID 170333267

IUPAC2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(N3CCc4[nH]cnc4C3c3cc4c(Cl)cccn4n3)o2)cc1
InChIInChI=1S/C21H15ClFN7O/c22-14-2-1-8-30-17(14)10-16(28-30)19-18-15(24-11-25-18)7-9-29(19)21-27-26-20(31-21)12-3-5-13(23)6-4-12/h1-6,8,10-11,19H,7,9H2,(H,24,25)
InChIKeyRCPWVUAMIJHRFX-UHFFFAOYSA-N
MW435.85 g/mol
LogP4.05
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-(4-fluorophenyl)-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-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 170333267) has the molecular formula C21H15ClFN7O and a molecular weight of 435.85 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-(4-fluorophenyl)-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-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID170333267
Molecular FormulaC21H15ClFN7O
Molecular Weight435.85 g/mol
Exact Mass435.10
IUPAC Name2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(N3CCc4[nH]cnc4C3c3cc4c(Cl)cccn4n3)o2)cc1
InChIInChI=1S/C21H15ClFN7O/c22-14-2-1-8-30-17(14)10-16(28-30)19-18-15(24-11-25-18)7-9-29(19)21-27-26-20(31-21)12-3-5-13(23)6-4-12/h1-6,8,10-11,19H,7,9H2,(H,24,25)
InChIKeyRCPWVUAMIJHRFX-UHFFFAOYSA-N
XLogP4.05
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.85
LogP ≤ 54.05
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-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-1,3,4-oxadiazole (CID 170333267) is 2-[4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(N3CCc4[nH]cnc4C3c3cc4c(Cl)cccn4n3)o2)cc1.
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-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is RCPWVUAMIJHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN7O/c22-14-2-1-8-30-17(14)10-16(28-30)19-18-15(24-11-25-18)7-9-29(19)21-27-26-20(31-21)12-3-5-13(23)6-4-12/h1-6,8,10-11,19H,7,9H2,(H,24,25).
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-(4-fluorophenyl)-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-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 435.85 g/mol, XLogP of 4.05, 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-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 170333267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).