N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C18H23BrN4O — CID 166301854

IUPACN-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCC(C)(C)c2cccc(Br)c2)c2c1CNCC2
InChIInChI=1S/C18H23BrN4O/c1-18(2,12-5-4-6-13(19)9-12)11-21-17(24)16-14-7-8-20-10-15(14)23(3)22-16/h4-6,9,20H,7-8,10-11H2,1-3H3,(H,21,24)
InChIKeyJBBJQLUERLPJGT-UHFFFAOYSA-N
MW391.31 g/mol
LogP2.54
Rot. Bonds4

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

N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166301854) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166301854
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC NameN-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCC(C)(C)c2cccc(Br)c2)c2c1CNCC2
InChIInChI=1S/C18H23BrN4O/c1-18(2,12-5-4-6-13(19)9-12)11-21-17(24)16-14-7-8-20-10-15(14)23(3)22-16/h4-6,9,20H,7-8,10-11H2,1-3H3,(H,21,24)
InChIKeyJBBJQLUERLPJGT-UHFFFAOYSA-N
XLogP2.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide 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 N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166301854) is N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCC(C)(C)c2cccc(Br)c2)c2c1CNCC2.
What is the InChIKey of N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is JBBJQLUERLPJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-18(2,12-5-4-6-13(19)9-12)11-21-17(24)16-14-7-8-20-10-15(14)23(3)22-16/h4-6,9,20H,7-8,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 391.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-2-methylpropyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166301854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).