3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine

C30H18F6N6 — CID 58947633

IUPAC3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
SMILESFC(F)(F)c1ccn(-c2ccccc2-c2cccnc2-c2ncccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C30H18F6N6/c31-29(32,33)25-13-17-41(39-25)23-11-3-1-7-19(23)21-9-5-15-37-27(21)28-22(10-6-16-38-28)20-8-2-4-12-24(20)42-18-14-26(40-42)30(34,35)36/h1-18H
InChIKeyDQEARZIPXYXXNX-UHFFFAOYSA-N
MW576.50 g/mol
LogP7.89
Rot. Bonds5

About 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine

3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine (PubChem CID 58947633) has the molecular formula C30H18F6N6 and a molecular weight of 576.50 g/mol. Its IUPAC name is 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
PubChem CID58947633
Molecular FormulaC30H18F6N6
Molecular Weight576.50 g/mol
Exact Mass576.15
IUPAC Name3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine
SMILESFC(F)(F)c1ccn(-c2ccccc2-c2cccnc2-c2ncccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C30H18F6N6/c31-29(32,33)25-13-17-41(39-25)23-11-3-1-7-19(23)21-9-5-15-37-27(21)28-22(10-6-16-38-28)20-8-2-4-12-24(20)42-18-14-26(40-42)30(34,35)36/h1-18H
InChIKeyDQEARZIPXYXXNX-UHFFFAOYSA-N
XLogP7.89
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.50
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine?
The IUPAC name of 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine (CID 58947633) is 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine?
The canonical SMILES for 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine is FC(F)(F)c1ccn(-c2ccccc2-c2cccnc2-c2ncccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine?
The InChIKey is DQEARZIPXYXXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F6N6/c31-29(32,33)25-13-17-41(39-25)23-11-3-1-7-19(23)21-9-5-15-37-27(21)28-22(10-6-16-38-28)20-8-2-4-12-24(20)42-18-14-26(40-42)30(34,35)36/h1-18H.
What are the key properties of 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine?
3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine has a molecular weight of 576.50 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-[3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 58947633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).