6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine

C40H28F6N10 — CID 160750396

About 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine

6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine (PubChem CID 160750396) has the molecular formula C40H28F6N10 and a molecular weight of 762.72 g/mol. Its IUPAC name is 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine.

Molecular Properties

• Compound Name: 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
• PubChem CID: 160750396
• Molecular Formula: C40H28F6N10
• Molecular Weight: 762.72 g/mol
• Exact Mass: 762.24
• IUPAC Name: 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
• SMILES: CCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.N#Cc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
• InChI: InChI=1S/C21H18F3N5.C19H10F3N5/c1-2-15(25)17-6-3-5-16(27-17)13-9-10-14-12-26-29(18(14)11-13)20-8-4-7-19(28-20)21(22,23)24;20-19(21,22)17-5-2-6-18(26-17)27-16-9-12(7-8-13(16)11-24-27)15-4-1-3-14(10-23)25-15/h3-12,15H,2,25H2,1H3;1-9,11H
• InChIKey: RWSWFJBJUFUHKA-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 137.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.72
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?

The IUPAC name of 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine (CID 160750396) is 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine.

What is the SMILES notation for 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?

The canonical SMILES for 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine is CCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.N#Cc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.

What is the InChIKey of 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?

The InChIKey is RWSWFJBJUFUHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5.C19H10F3N5/c1-2-15(25)17-6-3-5-16(27-17)13-9-10-14-12-26-29(18(14)11-13)20-8-4-7-19(28-20)21(22,23)24;20-19(21,22)17-5-2-6-18(26-17)27-16-9-12(7-8-13(16)11-24-27)15-4-1-3-14(10-23)25-15/h3-12,15H,2,25H2,1H3;1-9,11H.

What are the key properties of 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine?

6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine has a molecular weight of 762.72 g/mol, XLogP of 9.28, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile;1-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 160750396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).