6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one

C28H31FN4O2 — CID 129173386

About 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one

6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 129173386) has the molecular formula C28H31FN4O2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

• Compound Name: 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one
• PubChem CID: 129173386
• Molecular Formula: C28H31FN4O2
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.24
• IUPAC Name: 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one
• SMILES: O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)NC2c2ccc(C3CNc4ccccc43)cc2F)C1
• InChI: InChI=1S/C28H31FN4O2/c29-23-13-19(22-14-30-24-4-2-1-3-20(22)24)7-8-21(23)25-31-28(10-11-28)27(35)33(25)16-17-9-12-32(15-17)26(34)18-5-6-18/h1-4,7-8,13,17-18,22,25,30-31H,5-6,9-12,14-16H2/t17-,22?,25?/m1/s1
• InChIKey: HRHSJWXTTMUMGV-RVCSHAMNSA-N
• XLogP: 3.60
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one?

The IUPAC name of 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one (CID 129173386) is 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one.

What is the SMILES notation for 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one?

The canonical SMILES for 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one is O=C(C1CC1)N1CC[C@@H](CN2C(=O)C3(CC3)NC2c2ccc(C3CNc4ccccc43)cc2F)C1.

What is the InChIKey of 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one?

The InChIKey is HRHSJWXTTMUMGV-RVCSHAMNSA-N. The full InChI is InChI=1S/C28H31FN4O2/c29-23-13-19(22-14-30-24-4-2-1-3-20(22)24)7-8-21(23)25-31-28(10-11-28)27(35)33(25)16-17-9-12-32(15-17)26(34)18-5-6-18/h1-4,7-8,13,17-18,22,25,30-31H,5-6,9-12,14-16H2/t17-,22?,25?/m1/s1.

What are the key properties of 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one?

6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 474.58 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(2,3-dihydro-1H-indol-3-yl)-2-fluorophenyl]-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 129173386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).