N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H29ClN6O2 — CID 16560838

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C25H29ClN6O2/c1-14(2)21-11-18(19-12-27-32(16(5)6)23(19)28-21)25(33)31(15(3)4)13-22-29-30-24(34-22)17-9-7-8-10-20(17)26/h7-12,14-16H,13H2,1-6H3
InChIKeyZHTZBVOQRMTVGB-UHFFFAOYSA-N
MW481.00 g/mol
LogP5.89
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16560838) has the molecular formula C25H29ClN6O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16560838
Molecular FormulaC25H29ClN6O2
Molecular Weight481.00 g/mol
Exact Mass480.20
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C25H29ClN6O2/c1-14(2)21-11-18(19-12-27-32(16(5)6)23(19)28-21)25(33)31(15(3)4)13-22-29-30-24(34-22)17-9-7-8-10-20(17)26/h7-12,14-16H,13H2,1-6H3
InChIKeyZHTZBVOQRMTVGB-UHFFFAOYSA-N
XLogP5.89
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.00
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 16560838) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZHTZBVOQRMTVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O2/c1-14(2)21-11-18(19-12-27-32(16(5)6)23(19)28-21)25(33)31(15(3)4)13-22-29-30-24(34-22)17-9-7-8-10-20(17)26/h7-12,14-16H,13H2,1-6H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16560838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).