5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C51H30F9N9 — CID 122487817

IUPAC5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(F)(F)F)[nH]n5)nc4)cc(-c4ccccc4-c4ccc(-c5cc(C(F)(F)F)[nH]n5)nc4)c3)cn2)n[nH]1
InChIInChI=1S/C51H30F9N9/c52-49(53,54)46-22-43(64-67-46)40-16-13-28(25-61-40)34-7-1-4-10-37(34)31-19-32(38-11-5-2-8-35(38)29-14-17-41(62-26-29)44-23-47(68-65-44)50(55,56)57)21-33(20-31)39-12-6-3-9-36(39)30-15-18-42(63-27-30)45-24-48(69-66-45)51(58,59)60/h1-27H,(H,64,67)(H,65,68)(H,66,69)
InChIKeyHVCZSBWHIFYDGT-UHFFFAOYSA-N
MW939.85 g/mol
LogP14.10
Rot. Bonds9

About 5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 122487817) has the molecular formula C51H30F9N9 and a molecular weight of 939.85 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID122487817
Molecular FormulaC51H30F9N9
Molecular Weight939.85 g/mol
Exact Mass939.25
IUPAC Name5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(F)(F)F)[nH]n5)nc4)cc(-c4ccccc4-c4ccc(-c5cc(C(F)(F)F)[nH]n5)nc4)c3)cn2)n[nH]1
InChIInChI=1S/C51H30F9N9/c52-49(53,54)46-22-43(64-67-46)40-16-13-28(25-61-40)34-7-1-4-10-37(34)31-19-32(38-11-5-2-8-35(38)29-14-17-41(62-26-29)44-23-47(68-65-44)50(55,56)57)21-33(20-31)39-12-6-3-9-36(39)30-15-18-42(63-27-30)45-24-48(69-66-45)51(58,59)60/h1-27H,(H,64,67)(H,65,68)(H,66,69)
InChIKeyHVCZSBWHIFYDGT-UHFFFAOYSA-N
XLogP14.10
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.85
LogP ≤ 514.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9925372
2-[3-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11588676
2-[3-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11716589
4-(5-(1-methylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)pyridine
CID 22037370
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039626
2-(2-methylphenyl)-4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridine
CID 11594774
2-[2-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11595752
3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137034133
3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137034241
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137110540
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137111925
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114591

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 122487817) is 5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is FC(F)(F)c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C(F)(F)F)[nH]n5)nc4)cc(-c4ccccc4-c4ccc(-c5cc(C(F)(F)F)[nH]n5)nc4)c3)cn2)n[nH]1.
What is the InChIKey of 5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is HVCZSBWHIFYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30F9N9/c52-49(53,54)46-22-43(64-67-46)40-16-13-28(25-61-40)34-7-1-4-10-37(34)31-19-32(38-11-5-2-8-35(38)29-14-17-41(62-26-29)44-23-47(68-65-44)50(55,56)57)21-33(20-31)39-12-6-3-9-36(39)30-15-18-42(63-27-30)45-24-48(69-66-45)51(58,59)60/h1-27H,(H,64,67)(H,65,68)(H,66,69).
What are the key properties of 5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 939.85 g/mol, XLogP of 14.10, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 122487817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).