2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H17BrF3N7O — CID 171656174

IUPAC2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnn(C3CC(C(F)(F)F)C3)n2)cc1NC(=O)c1c(Br)nn2ccccc12
InChIInChI=1S/C21H17BrF3N7O/c1-11-5-6-12(19-27-30-32(29-19)14-9-13(10-14)21(23,24)25)8-15(11)26-20(33)17-16-4-2-3-7-31(16)28-18(17)22/h2-8,13-14H,9-10H2,1H3,(H,26,33)
InChIKeyJXBZTNKCYJEROP-UHFFFAOYSA-N
MW520.31 g/mol
LogP4.82
Rot. Bonds4

About 2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171656174) has the molecular formula C21H17BrF3N7O and a molecular weight of 520.31 g/mol. Its IUPAC name is 2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID171656174
Molecular FormulaC21H17BrF3N7O
Molecular Weight520.31 g/mol
Exact Mass519.06
IUPAC Name2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnn(C3CC(C(F)(F)F)C3)n2)cc1NC(=O)c1c(Br)nn2ccccc12
InChIInChI=1S/C21H17BrF3N7O/c1-11-5-6-12(19-27-30-32(29-19)14-9-13(10-14)21(23,24)25)8-15(11)26-20(33)17-16-4-2-3-7-31(16)28-18(17)22/h2-8,13-14H,9-10H2,1H3,(H,26,33)
InChIKeyJXBZTNKCYJEROP-UHFFFAOYSA-N
XLogP4.82
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.31
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171655826
N-[2-methyl-5-[2-[1-(1-methylcyclopropyl)sulfonylazetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171656372
N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171655718
methyl 3-[5-[3-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-4-methylphenyl]tetrazol-2-yl]azetidine-1-carboxylate
CID 171656556
methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CID 131527386
N-[2-methyl-5-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280891
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3,4-dimethylbenzamide
CID 121055609
N-[5-[5-(1-cyclopropylsulfonylazetidin-3-yl)tetrazol-2-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171656565
N-[2-methyl-5-[5-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 150587498
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3-methylbenzamide
CID 121055646
2-amino-N-[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 142772411
methyl 3-[5-(4-methyl-3-nitrophenyl)tetrazol-2-yl]azetidine-1-carboxylate
CID 171656330

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171656174) is 2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2nnn(C3CC(C(F)(F)F)C3)n2)cc1NC(=O)c1c(Br)nn2ccccc12.
What is the InChIKey of 2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JXBZTNKCYJEROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF3N7O/c1-11-5-6-12(19-27-30-32(29-19)14-9-13(10-14)21(23,24)25)8-15(11)26-20(33)17-16-4-2-3-7-31(16)28-18(17)22/h2-8,13-14H,9-10H2,1H3,(H,26,33).
What are the key properties of 2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 520.31 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-methyl-5-[2-[3-(trifluoromethyl)cyclobutyl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171656174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).