5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine

C25H16F6N4 — CID 87236445

IUPAC5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine
SMILESFC(F)(F)c1cccc(C2=Cc3[nH]ncc3C(c3cccc(C(F)(F)F)c3)N2c2ccncc2)c1
InChIInChI=1S/C25H16F6N4/c26-24(27,28)17-5-1-3-15(11-17)22-13-21-20(14-33-34-21)23(35(22)19-7-9-32-10-8-19)16-4-2-6-18(12-16)25(29,30)31/h1-14,23H,(H,33,34)
InChIKeyQMYMDRKFQXBKFG-UHFFFAOYSA-N
MW486.42 g/mol
LogP6.95
Rot. Bonds3

About 5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine

5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine (PubChem CID 87236445) has the molecular formula C25H16F6N4 and a molecular weight of 486.42 g/mol. Its IUPAC name is 5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine
PubChem CID87236445
Molecular FormulaC25H16F6N4
Molecular Weight486.42 g/mol
Exact Mass486.13
IUPAC Name5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine
SMILESFC(F)(F)c1cccc(C2=Cc3[nH]ncc3C(c3cccc(C(F)(F)F)c3)N2c2ccncc2)c1
InChIInChI=1S/C25H16F6N4/c26-24(27,28)17-5-1-3-15(11-17)22-13-21-20(14-33-34-21)23(35(22)19-7-9-32-10-8-19)16-4-2-6-18(12-16)25(29,30)31/h1-14,23H,(H,33,34)
InChIKeyQMYMDRKFQXBKFG-UHFFFAOYSA-N
XLogP6.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.42
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine?
The IUPAC name of 5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine (CID 87236445) is 5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine is FC(F)(F)c1cccc(C2=Cc3[nH]ncc3C(c3cccc(C(F)(F)F)c3)N2c2ccncc2)c1.
What is the InChIKey of 5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine?
The InChIKey is QMYMDRKFQXBKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F6N4/c26-24(27,28)17-5-1-3-15(11-17)22-13-21-20(14-33-34-21)23(35(22)19-7-9-32-10-8-19)16-4-2-6-18(12-16)25(29,30)31/h1-14,23H,(H,33,34).
What are the key properties of 5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine?
5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine has a molecular weight of 486.42 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-4,6-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 87236445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).