6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile

C₄₂H₃₄FN₁₃ — CID 142510549

About 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile

6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 142510549) has the molecular formula C₄₂H₃₄FN₁₃ and a molecular weight of 739.82 g/mol. Its IUPAC name is 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
• PubChem CID: 142510549
• Molecular Formula: C₄₂H₃₄FN₁₃
• Molecular Weight: 739.82 g/mol
• Exact Mass: 739.30
• IUPAC Name: 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile
• SMILES: Cc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CCC(C)(C)F)c3)ccn2c1C(C)(C#N)Cn1cc(-c2ccc(C#N)nc2-c2ccn3ccnc3c2)cn1
• InChI: InChI=1S/C42H34FN13/c1-27-40(56-14-10-29(18-37(56)50-27)39-34(7-5-33(20-45)52-39)30-21-48-54(23-30)15-11-41(2,3)43)42(4,25-46)26-55-24-31(22-49-55)35-8-6-32(19-44)51-38(35)28-9-13-53-16-12-47-36(53)17-28/h5-10,12-14,16-18,21-24H,11,15,26H2,1-4H3
• InChIKey: BYCRZAJYCUGRPX-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 167.39 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	739.82
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?

The IUPAC name of 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile (CID 142510549) is 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?

The canonical SMILES for 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile is Cc1nc2cc(-c3nc(C#N)ccc3-c3cnn(CCC(C)(C)F)c3)ccn2c1C(C)(C#N)Cn1cc(-c2ccc(C#N)nc2-c2ccn3ccnc3c2)cn1.

What is the InChIKey of 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?

The InChIKey is BYCRZAJYCUGRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34FN13/c1-27-40(56-14-10-29(18-37(56)50-27)39-34(7-5-33(20-45)52-39)30-21-48-54(23-30)15-11-41(2,3)43)42(4,25-46)26-55-24-31(22-49-55)35-8-6-32(19-44)51-38(35)28-9-13-53-16-12-47-36(53)17-28/h5-10,12-14,16-18,21-24H,11,15,26H2,1-4H3.

What are the key properties of 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile?

6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 739.82 g/mol, XLogP of 7.50, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[2-cyano-1-[4-(6-cyano-2-imidazo[1,2-a]pyridin-7-yl-3-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-methylimidazo[1,2-a]pyridin-7-yl]-5-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 142510549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142510549 — identifiers, structure, computed properties (public domain)

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