5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C19H12BrClF3N7O — CID 171655800

IUPAC5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2nnn(C3CC(F)(F)C3)n2)c(F)cc1Cl)c1cnn2ccc(Br)cc12
InChIInChI=1S/C19H12BrClF3N7O/c20-9-1-2-30-16(3-9)12(8-25-30)18(32)26-15-4-11(14(22)5-13(15)21)17-27-29-31(28-17)10-6-19(23,24)7-10/h1-5,8,10H,6-7H2,(H,26,32)
InChIKeyGDGFORABDRFDAF-UHFFFAOYSA-N
MW526.70 g/mol
LogP4.77
Rot. Bonds4

About 5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171655800) has the molecular formula C19H12BrClF3N7O and a molecular weight of 526.70 g/mol. Its IUPAC name is 5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID171655800
Molecular FormulaC19H12BrClF3N7O
Molecular Weight526.70 g/mol
Exact Mass524.99
IUPAC Name5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2nnn(C3CC(F)(F)C3)n2)c(F)cc1Cl)c1cnn2ccc(Br)cc12
InChIInChI=1S/C19H12BrClF3N7O/c20-9-1-2-30-16(3-9)12(8-25-30)18(32)26-15-4-11(14(22)5-13(15)21)17-27-29-31(28-17)10-6-19(23,24)7-10/h1-5,8,10H,6-7H2,(H,26,32)
InChIKeyGDGFORABDRFDAF-UHFFFAOYSA-N
XLogP4.77
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.70
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 178043548
N-[5-(2-cyclopropyltetrazol-5-yl)-4-fluoro-2-methylphenyl]-5-[1-[(2R)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171655835
N-[2-chloro-5-(2-cyclopropyltetrazol-5-yl)-4-methylphenyl]-5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171656083
N-[2-chloro-5-(2-ethyltetrazol-5-yl)-4-fluorophenyl]-5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171656356
methyl 3-[2-[3-[(5-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-4-chlorophenyl]triazol-4-yl]azetidine-1-carboxylate
CID 171655761
5-bromo-N-[2-methyl-5-(5-methyltetrazol-2-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171655813
4-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-2-methylaniline
CID 171656343
methyl 3-[5-[3-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-4-methylphenyl]tetrazol-2-yl]azetidine-1-carboxylate
CID 171656556
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-(2-amino-4-bromophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115989
methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate
CID 171655729
N-[2-chloro-5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175682520

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171655800) is 5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1cc(-c2nnn(C3CC(F)(F)C3)n2)c(F)cc1Cl)c1cnn2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is GDGFORABDRFDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClF3N7O/c20-9-1-2-30-16(3-9)12(8-25-30)18(32)26-15-4-11(14(22)5-13(15)21)17-27-29-31(28-17)10-6-19(23,24)7-10/h1-5,8,10H,6-7H2,(H,26,32).
What are the key properties of 5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 526.70 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-4-fluorophenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171655800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).