N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C20H18FN7O — CID 171656371

IUPACN-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnn(C3CC(F)C3)n2)cc1NC(=O)c1cnn2ccccc12
InChIInChI=1S/C20H18FN7O/c1-12-5-6-13(19-24-26-28(25-19)15-9-14(21)10-15)8-17(12)23-20(29)16-11-22-27-7-3-2-4-18(16)27/h2-8,11,14-15H,9-10H2,1H3,(H,23,29)
InChIKeyDMLLRNOZHNEQPB-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.22
Rot. Bonds4

About N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171656371) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID171656371
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC NameN-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnn(C3CC(F)C3)n2)cc1NC(=O)c1cnn2ccccc12
InChIInChI=1S/C20H18FN7O/c1-12-5-6-13(19-24-26-28(25-19)15-9-14(21)10-15)8-17(12)23-20(29)16-11-22-27-7-3-2-4-18(16)27/h2-8,11,14-15H,9-10H2,1H3,(H,23,29)
InChIKeyDMLLRNOZHNEQPB-UHFFFAOYSA-N
XLogP3.22
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]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-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171656371) is N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2nnn(C3CC(F)C3)n2)cc1NC(=O)c1cnn2ccccc12.
What is the InChIKey of N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DMLLRNOZHNEQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-12-5-6-13(19-24-26-28(25-19)15-9-14(21)10-15)8-17(12)23-20(29)16-11-22-27-7-3-2-4-18(16)27/h2-8,11,14-15H,9-10H2,1H3,(H,23,29).
What are the key properties of N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-fluorocyclobutyl)tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171656371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).