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

C32H24F3N9 — CID 158856911

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

6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine (PubChem CID 158856911) has the molecular formula C32H24F3N9 and a molecular weight of 591.60 g/mol. Its IUPAC name is 6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine
• PubChem CID: 158856911
• Molecular Formula: C32H24F3N9
• Molecular Weight: 591.60 g/mol
• Exact Mass: 591.21
• IUPAC Name: 6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine
• SMILES: Cc1ccn(-c2nc(N(c3ccccc3)c3ccc(C4=NC=CC4)c(-n4ccc(C(F)(F)F)n4)n3)ccc2C2=NC=CC2)n1
• InChI: InChI=1S/C32H24F3N9/c1-21-15-19-42(40-21)30-23(25-9-5-17-36-25)11-13-28(38-30)44(22-7-3-2-4-8-22)29-14-12-24(26-10-6-18-37-26)31(39-29)43-20-16-27(41-43)32(33,34)35/h2-8,11-20H,9-10H2,1H3
• InChIKey: FRCPGGXJPKEXQR-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 89.38 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.60
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine?

The IUPAC name of 6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine (CID 158856911) is 6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-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-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine?

The canonical SMILES for 6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine is Cc1ccn(-c2nc(N(c3ccccc3)c3ccc(C4=NC=CC4)c(-n4ccc(C(F)(F)F)n4)n3)ccc2C2=NC=CC2)n1.

What is the InChIKey of 6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine?

The InChIKey is FRCPGGXJPKEXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F3N9/c1-21-15-19-42(40-21)30-23(25-9-5-17-36-25)11-13-28(38-30)44(22-7-3-2-4-8-22)29-14-12-24(26-10-6-18-37-26)31(39-29)43-20-16-27(41-43)32(33,34)35/h2-8,11-20H,9-10H2,1H3.

What are the key properties of 6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine?

6-(3-methylpyrazol-1-yl)-N-phenyl-5-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 591.60 g/mol, XLogP of 7.06, 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-(3H-pyrrol-2-yl)-N-[5-(3H-pyrrol-2-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 158856911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).