N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide

C25H33N5O4 — CID 166893151

About N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 166893151) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 166893151
• Molecular Formula: C25H33N5O4
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.25
• IUPAC Name: N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: CCOc1cccc2c1C(C)C(C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)N2
• InChI: InChI=1S/C25H33N5O4/c1-3-34-20-6-4-5-18-21(20)14(2)22(29-18)25(33)30-19(11-15-7-8-15)24(32)28-17(13-26)12-16-9-10-27-23(16)31/h4-6,14-17,19,22,29H,3,7-12H2,1-2H3,(H,27,31)(H,28,32)(H,30,33)/t14?,16-,17-,19-,22?/m0/s1
• InChIKey: QECJZVHMPHGFAL-YUONRREESA-N
• XLogP: 1.80
• TPSA: 132.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 166893151) is N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide is CCOc1cccc2c1C(C)C(C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)N2.

What is the InChIKey of N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is QECJZVHMPHGFAL-YUONRREESA-N. The full InChI is InChI=1S/C25H33N5O4/c1-3-34-20-6-4-5-18-21(20)14(2)22(29-18)25(33)30-19(11-15-7-8-15)24(32)28-17(13-26)12-16-9-10-27-23(16)31/h4-6,14-17,19,22,29H,3,7-12H2,1-2H3,(H,27,31)(H,28,32)(H,30,33)/t14?,16-,17-,19-,22?/m0/s1.

What are the key properties of N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide?

N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 1.80, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-ethoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 166893151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).