[7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

C30H37N5O — CID 176811517

About [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

[7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 176811517) has the molecular formula C30H37N5O and a molecular weight of 483.66 g/mol. Its IUPAC name is [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
• PubChem CID: 176811517
• Molecular Formula: C30H37N5O
• Molecular Weight: 483.66 g/mol
• Exact Mass: 483.30
• IUPAC Name: [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
• SMILES: CCc1ccc(-c2cc(C(=O)N3Cc4cnn(C)c4C3)cc3cc(C(C)C)n(CC(C)C)c23)c(C)n1
• InChI: InChI=1S/C30H37N5O/c1-8-24-9-10-25(20(6)32-24)26-12-22(30(36)34-16-23-14-31-33(7)28(23)17-34)11-21-13-27(19(4)5)35(29(21)26)15-18(2)3/h9-14,18-19H,8,15-17H2,1-7H3
• InChIKey: VISLKSWHDCVKEC-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.66
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?

The IUPAC name of [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 176811517) is [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

What is the SMILES notation for [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?

The canonical SMILES for [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is CCc1ccc(-c2cc(C(=O)N3Cc4cnn(C)c4C3)cc3cc(C(C)C)n(CC(C)C)c23)c(C)n1.

What is the InChIKey of [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?

The InChIKey is VISLKSWHDCVKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O/c1-8-24-9-10-25(20(6)32-24)26-12-22(30(36)34-16-23-14-31-33(7)28(23)17-34)11-21-13-27(19(4)5)35(29(21)26)15-18(2)3/h9-14,18-19H,8,15-17H2,1-7H3.

What are the key properties of [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?

[7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 483.66 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(6-ethyl-2-methyl-3-pyridinyl)-1-(2-methylpropyl)-2-propan-2-ylindol-5-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 176811517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).