N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide

C31H34F2N6O4 — CID 162479382

About N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide

N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide (PubChem CID 162479382) has the molecular formula C31H34F2N6O4 and a molecular weight of 592.65 g/mol. Its IUPAC name is N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide
• PubChem CID: 162479382
• Molecular Formula: C31H34F2N6O4
• Molecular Weight: 592.65 g/mol
• Exact Mass: 592.26
• IUPAC Name: N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide
• SMILES: CCNC(C#N)C(CC1CCNC1=O)NC(=O)C1CC(c2ccccc2)CN1C(=O)c1cc2c(OC(F)F)cccc2[nH]1
• InChI: InChI=1S/C31H34F2N6O4/c1-2-35-25(16-34)23(13-19-11-12-36-28(19)40)38-29(41)26-14-20(18-7-4-3-5-8-18)17-39(26)30(42)24-15-21-22(37-24)9-6-10-27(21)43-31(32)33/h3-10,15,19-20,23,25-26,31,35,37H,2,11-14,17H2,1H3,(H,36,40)(H,38,41)
• InChIKey: QVUDMZYRODIDBE-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 139.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.65
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide?

The IUPAC name of N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide (CID 162479382) is N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide.

What is the SMILES notation for N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide?

The canonical SMILES for N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide is CCNC(C#N)C(CC1CCNC1=O)NC(=O)C1CC(c2ccccc2)CN1C(=O)c1cc2c(OC(F)F)cccc2[nH]1.

What is the InChIKey of N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide?

The InChIKey is QVUDMZYRODIDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N6O4/c1-2-35-25(16-34)23(13-19-11-12-36-28(19)40)38-29(41)26-14-20(18-7-4-3-5-8-18)17-39(26)30(42)24-15-21-22(37-24)9-6-10-27(21)43-31(32)33/h3-10,15,19-20,23,25-26,31,35,37H,2,11-14,17H2,1H3,(H,36,40)(H,38,41).

What are the key properties of N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide?

N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide has a molecular weight of 592.65 g/mol, XLogP of 3.28, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyano-1-(ethylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-1-[4-(difluoromethoxy)-1H-indole-2-carbonyl]-4-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 162479382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).