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

C22H14ClF6N3 — CID 17308207

IUPAC1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3nc(C(F)(F)F)cc(C(F)(F)F)c23)cc1
InChIInChI=1S/C22H14ClF6N3/c1-11-3-6-13(7-4-11)19-18-15(21(24,25)26)10-17(22(27,28)29)30-20(18)32(31-19)14-8-5-12(2)16(23)9-14/h3-10H,1-2H3
InChIKeyMQRCOGIOEIPQMN-UHFFFAOYSA-N
MW469.82 g/mol
LogP7.40
Rot. Bonds2

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

1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17308207) has the molecular formula C22H14ClF6N3 and a molecular weight of 469.82 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17308207
Molecular FormulaC22H14ClF6N3
Molecular Weight469.82 g/mol
Exact Mass469.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3nc(C(F)(F)F)cc(C(F)(F)F)c23)cc1
InChIInChI=1S/C22H14ClF6N3/c1-11-3-6-13(7-4-11)19-18-15(21(24,25)26)10-17(22(27,28)29)30-20(18)32(31-19)14-8-5-12(2)16(23)9-14/h3-10H,1-2H3
InChIKeyMQRCOGIOEIPQMN-UHFFFAOYSA-N
XLogP7.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.82
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308154
3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 5304685
1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308003
3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3864258
6-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-(3-chlorophenyl)-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17309053
3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308198
1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308035
4-chloro-1-(3-chloro-4-methylphenyl)-3,5-bis(4-fluorophenyl)pyrazole
CID 19587540
5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine
CID 17308097
6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308101
8-chloro-1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852730
3,5-bis(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-4-methylpyrazole
CID 17025513

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17308207) is 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3nc(C(F)(F)F)cc(C(F)(F)F)c23)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is MQRCOGIOEIPQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF6N3/c1-11-3-6-13(7-4-11)19-18-15(21(24,25)26)10-17(22(27,28)29)30-20(18)32(31-19)14-8-5-12(2)16(23)9-14/h3-10H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 469.82 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17308207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).