4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile

C31H34FN7 — CID 130440265

About 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile

4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile (PubChem CID 130440265) has the molecular formula C31H34FN7 and a molecular weight of 523.66 g/mol. Its IUPAC name is 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile
• PubChem CID: 130440265
• Molecular Formula: C31H34FN7
• Molecular Weight: 523.66 g/mol
• Exact Mass: 523.29
• IUPAC Name: 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile
• SMILES: CC(C)N1CC(Cn2cc(-c3cc(F)c4c(c3)N(C(C)C)CC4)cn2)c2cc(-c3cn(C)nc3C#N)ccc21
• InChI: InChI=1S/C31H34FN7/c1-19(2)38-9-8-25-28(32)11-22(12-31(25)38)23-14-34-37(15-23)16-24-17-39(20(3)4)30-7-6-21(10-26(24)30)27-18-36(5)35-29(27)13-33/h6-7,10-12,14-15,18-20,24H,8-9,16-17H2,1-5H3
• InChIKey: VYLWJZNGKMXUDD-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 65.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.66
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile?

The IUPAC name of 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile (CID 130440265) is 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile.

What is the SMILES notation for 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile?

The canonical SMILES for 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile is CC(C)N1CC(Cn2cc(-c3cc(F)c4c(c3)N(C(C)C)CC4)cn2)c2cc(-c3cn(C)nc3C#N)ccc21.

What is the InChIKey of 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile?

The InChIKey is VYLWJZNGKMXUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN7/c1-19(2)38-9-8-25-28(32)11-22(12-31(25)38)23-14-34-37(15-23)16-24-17-39(20(3)4)30-7-6-21(10-26(24)30)27-18-36(5)35-29(27)13-33/h6-7,10-12,14-15,18-20,24H,8-9,16-17H2,1-5H3.

What are the key properties of 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile?

4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile has a molecular weight of 523.66 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[4-(4-fluoro-1-propan-2-yl-2,3-dihydroindol-6-yl)pyrazol-1-yl]methyl]-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 130440265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).