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

C31H36FN5O — CID 176811677

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

[1-(cyclopropylmethyl)-7-(2-ethyl-6-methyl-3-pyridinyl)-3-fluoro-2-propan-2-ylindol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 176811677) has the molecular formula C31H36FN5O and a molecular weight of 513.66 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(2-ethyl-6-methyl-3-pyridinyl)-3-fluoro-2-propan-2-ylindol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [1-(cyclopropylmethyl)-7-(2-ethyl-6-methyl-3-pyridinyl)-3-fluoro-2-propan-2-ylindol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
• PubChem CID: 176811677
• Molecular Formula: C31H36FN5O
• Molecular Weight: 513.66 g/mol
• Exact Mass: 513.29
• IUPAC Name: [1-(cyclopropylmethyl)-7-(2-ethyl-6-methyl-3-pyridinyl)-3-fluoro-2-propan-2-ylindol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
• SMILES: CCc1nc(C)ccc1-c1cc(C(=O)N2Cc3cnn(CC)c3C2)cc2c(F)c(C(C)C)n(CC3CC3)c12
• InChI: InChI=1S/C31H36FN5O/c1-6-26-23(11-8-19(5)34-26)24-12-21(31(38)35-16-22-14-33-37(7-2)27(22)17-35)13-25-28(32)29(18(3)4)36(30(24)25)15-20-9-10-20/h8,11-14,18,20H,6-7,9-10,15-17H2,1-5H3
• InChIKey: FTGIEPLHBQHDIS-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.66
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [1-(cyclopropylmethyl)-7-(2-ethyl-6-methyl-3-pyridinyl)-3-fluoro-2-propan-2-ylindol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 176811677) is [1-(cyclopropylmethyl)-7-(2-ethyl-6-methyl-3-pyridinyl)-3-fluoro-2-propan-2-ylindol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

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

The canonical SMILES for [1-(cyclopropylmethyl)-7-(2-ethyl-6-methyl-3-pyridinyl)-3-fluoro-2-propan-2-ylindol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is CCc1nc(C)ccc1-c1cc(C(=O)N2Cc3cnn(CC)c3C2)cc2c(F)c(C(C)C)n(CC3CC3)c12.

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

The InChIKey is FTGIEPLHBQHDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN5O/c1-6-26-23(11-8-19(5)34-26)24-12-21(31(38)35-16-22-14-33-37(7-2)27(22)17-35)13-25-28(32)29(18(3)4)36(30(24)25)15-20-9-10-20/h8,11-14,18,20H,6-7,9-10,15-17H2,1-5H3.

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

[1-(cyclopropylmethyl)-7-(2-ethyl-6-methyl-3-pyridinyl)-3-fluoro-2-propan-2-ylindol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 513.66 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(cyclopropylmethyl)-7-(2-ethyl-6-methyl-3-pyridinyl)-3-fluoro-2-propan-2-ylindol-5-yl]-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 176811677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).