1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide

C23H28ClN5O4 — CID 162479289

About 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide

1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide (PubChem CID 162479289) has the molecular formula C23H28ClN5O4 and a molecular weight of 473.96 g/mol. Its IUPAC name is 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide
• PubChem CID: 162479289
• Molecular Formula: C23H28ClN5O4
• Molecular Weight: 473.96 g/mol
• Exact Mass: 473.18
• IUPAC Name: 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide
• SMILES: NC(=O)c1cc2cccc(Cl)c2n1[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O
• InChI: InChI=1S/C23H28ClN5O4/c24-15-5-1-3-13-11-17(21(26)31)29(19(13)15)18(9-12-6-7-12)23(33)28-16(20(25)30)10-14-4-2-8-27-22(14)32/h1,3,5,11-12,14,16,18H,2,4,6-10H2,(H2,25,30)(H2,26,31)(H,27,32)(H,28,33)/t14-,16-,18-/m0/s1
• InChIKey: ARQPGAAEVYOSOT-ZVZYQTTQSA-N
• XLogP: 1.62
• TPSA: 149.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.96
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide?

The IUPAC name of 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide (CID 162479289) is 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide.

What is the SMILES notation for 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide?

The canonical SMILES for 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide is NC(=O)c1cc2cccc(Cl)c2n1[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O.

What is the InChIKey of 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide?

The InChIKey is ARQPGAAEVYOSOT-ZVZYQTTQSA-N. The full InChI is InChI=1S/C23H28ClN5O4/c24-15-5-1-3-13-11-17(21(26)31)29(19(13)15)18(9-12-6-7-12)23(33)28-16(20(25)30)10-14-4-2-8-27-22(14)32/h1,3,5,11-12,14,16,18H,2,4,6-10H2,(H2,25,30)(H2,26,31)(H,27,32)(H,28,33)/t14-,16-,18-/m0/s1.

What are the key properties of 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide?

1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide has a molecular weight of 473.96 g/mol, XLogP of 1.62, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloroindole-2-carboxamide is sourced from PubChem (CID 162479289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).