6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine

C34H24F3N9 — CID 158856913

IUPAC6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine
SMILESCc1ccn(-c2nc(N(c3ccccc3)c3ccc(-c4ccncc4)c(-n4ccc(C(F)(F)F)n4)n3)ccc2-c2ccncc2)n1
InChIInChI=1S/C34H24F3N9/c1-23-15-21-44(42-23)32-27(24-11-17-38-18-12-24)7-9-30(40-32)46(26-5-3-2-4-6-26)31-10-8-28(25-13-19-39-20-14-25)33(41-31)45-22-16-29(43-45)34(35,36)37/h2-22H,1H3
InChIKeyAQZBUPDSZUJQCS-UHFFFAOYSA-N
MW615.62 g/mol
LogP7.77
Rot. Bonds7

About 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine

6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine (PubChem CID 158856913) has the molecular formula C34H24F3N9 and a molecular weight of 615.62 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine
PubChem CID158856913
Molecular FormulaC34H24F3N9
Molecular Weight615.62 g/mol
Exact Mass615.21
IUPAC Name6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine
SMILESCc1ccn(-c2nc(N(c3ccccc3)c3ccc(-c4ccncc4)c(-n4ccc(C(F)(F)F)n4)n3)ccc2-c2ccncc2)n1
InChIInChI=1S/C34H24F3N9/c1-23-15-21-44(42-23)32-27(24-11-17-38-18-12-24)7-9-30(40-32)46(26-5-3-2-4-6-26)31-10-8-28(25-13-19-39-20-14-25)33(41-31)45-22-16-29(43-45)34(35,36)37/h2-22H,1H3
InChIKeyAQZBUPDSZUJQCS-UHFFFAOYSA-N
XLogP7.77
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.62
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine (CID 158856913) is 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine is Cc1ccn(-c2nc(N(c3ccccc3)c3ccc(-c4ccncc4)c(-n4ccc(C(F)(F)F)n4)n3)ccc2-c2ccncc2)n1.
What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is AQZBUPDSZUJQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F3N9/c1-23-15-21-44(42-23)32-27(24-11-17-38-18-12-24)7-9-30(40-32)46(26-5-3-2-4-6-26)31-10-8-28(25-13-19-39-20-14-25)33(41-31)45-22-16-29(43-45)34(35,36)37/h2-22H,1H3.
What are the key properties of 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine?
6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 615.62 g/mol, XLogP of 7.77, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpyrazol-1-yl)-N-phenyl-5-pyridin-4-yl-N-[5-pyridin-4-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 158856913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).