N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C18H20N6O2 — CID 91829541

IUPACN-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(Cc1noc(-c3ccc(C)cc3)n1)CC2
InChIInChI=1S/C18H20N6O2/c1-11-3-5-12(6-4-11)18-20-15(23-26-18)10-24-8-7-14-13(9-24)16(22-21-14)17(25)19-2/h3-6H,7-10H2,1-2H3,(H,19,25)(H,21,22)
InChIKeyRXOOHPJEQKZRLL-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.69
Rot. Bonds4

About N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 91829541) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID91829541
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(Cc1noc(-c3ccc(C)cc3)n1)CC2
InChIInChI=1S/C18H20N6O2/c1-11-3-5-12(6-4-11)18-20-15(23-26-18)10-24-8-7-14-13(9-24)16(22-21-14)17(25)19-2/h3-6H,7-10H2,1-2H3,(H,19,25)(H,21,22)
InChIKeyRXOOHPJEQKZRLL-UHFFFAOYSA-N
XLogP1.69
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 91829541) is N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CNC(=O)c1n[nH]c2c1CN(Cc1noc(-c3ccc(C)cc3)n1)CC2.
What is the InChIKey of N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is RXOOHPJEQKZRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-3-5-12(6-4-11)18-20-15(23-26-18)10-24-8-7-14-13(9-24)16(22-21-14)17(25)19-2/h3-6H,7-10H2,1-2H3,(H,19,25)(H,21,22).
What are the key properties of N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 91829541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).