1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine

C15H8BrF6N3 — CID 17308003

IUPAC1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(Br)cc2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12
InChIInChI=1S/C15H8BrF6N3/c1-7-12-10(14(17,18)19)6-11(15(20,21)22)23-13(12)25(24-7)9-4-2-8(16)3-5-9/h2-6H,1H3
InChIKeyZPHIKZWDLRCUGF-UHFFFAOYSA-N
MW424.14 g/mol
LogP5.53
Rot. Bonds1

About 1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine

1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17308003) has the molecular formula C15H8BrF6N3 and a molecular weight of 424.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17308003
Molecular FormulaC15H8BrF6N3
Molecular Weight424.14 g/mol
Exact Mass422.98
IUPAC Name1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(Br)cc2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12
InChIInChI=1S/C15H8BrF6N3/c1-7-12-10(14(17,18)19)6-11(15(20,21)22)23-13(12)25(24-7)9-4-2-8(16)3-5-9/h2-6H,1H3
InChIKeyZPHIKZWDLRCUGF-UHFFFAOYSA-N
XLogP5.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.14
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308004
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308207
6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090878
1-(1-benzothiophen-2-yl)-6-tert-butyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 162787125
3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3585431
6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308052
3-methyl-1-(4-nitrophenyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308050
6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308101
6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17025879
1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308117
4-[6-(4-bromophenyl)-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]benzoic acid
CID 29090418
6-bromo-1,3-dimethyl-4-(trifluoromethyl)indazole;ethane
CID 176566976

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17308003) is 1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccc(Br)cc2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12.
What is the InChIKey of 1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is ZPHIKZWDLRCUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF6N3/c1-7-12-10(14(17,18)19)6-11(15(20,21)22)23-13(12)25(24-7)9-4-2-8(16)3-5-9/h2-6H,1H3.
What are the key properties of 1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 424.14 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17308003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).