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

C30H21F3N6 — CID 71076224

IUPAC2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine
SMILESCc1ccn(-c2ccccc2-c2cccnc2-c2ncccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C30H21F3N6/c1-20-14-18-38(36-20)25-12-4-2-8-21(25)23-10-6-16-34-28(23)29-24(11-7-17-35-29)22-9-3-5-13-26(22)39-19-15-27(37-39)30(31,32)33/h2-19H,1H3
InChIKeyVWBMKQUFOSEXEV-UHFFFAOYSA-N
MW522.53 g/mol
LogP7.18
Rot. Bonds5

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

2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine (PubChem CID 71076224) has the molecular formula C30H21F3N6 and a molecular weight of 522.53 g/mol. Its IUPAC name is 2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine
PubChem CID71076224
Molecular FormulaC30H21F3N6
Molecular Weight522.53 g/mol
Exact Mass522.18
IUPAC Name2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine
SMILESCc1ccn(-c2ccccc2-c2cccnc2-c2ncccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C30H21F3N6/c1-20-14-18-38(36-20)25-12-4-2-8-21(25)23-10-6-16-34-28(23)29-24(11-7-17-35-29)22-9-3-5-13-26(22)39-19-15-27(37-39)30(31,32)33/h2-19H,1H3
InChIKeyVWBMKQUFOSEXEV-UHFFFAOYSA-N
XLogP7.18
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.53
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine?
The IUPAC name of 2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine (CID 71076224) is 2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine?
The canonical SMILES for 2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine is Cc1ccn(-c2ccccc2-c2cccnc2-c2ncccc2-c2ccccc2-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine?
The InChIKey is VWBMKQUFOSEXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F3N6/c1-20-14-18-38(36-20)25-12-4-2-8-21(25)23-10-6-16-34-28(23)29-24(11-7-17-35-29)22-9-3-5-13-26(22)39-19-15-27(37-39)30(31,32)33/h2-19H,1H3.
What are the key properties of 2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine?
2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine has a molecular weight of 522.53 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-methylpyrazol-1-yl)phenyl]-2-pyridinyl]-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine is sourced from PubChem (CID 71076224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).