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-chloro-4-methoxyindole-2-carboxamide

C24H30ClN5O5 — CID 162478921

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-chloro-4-methoxyindole-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-chloro-4-methoxyindole-2-carboxamide (PubChem CID 162478921) has the molecular formula C24H30ClN5O5 and a molecular weight of 503.99 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-chloro-4-methoxyindole-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-chloro-4-methoxyindole-2-carboxamide
• PubChem CID: 162478921
• Molecular Formula: C24H30ClN5O5
• Molecular Weight: 503.99 g/mol
• Exact Mass: 503.19
• 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-chloro-4-methoxyindole-2-carboxamide
• SMILES: COc1ccc(Cl)c2c1cc(C(N)=O)n2[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O
• InChI: InChI=1S/C24H30ClN5O5/c1-35-19-7-6-15(25)20-14(19)11-17(22(27)32)30(20)18(9-12-4-5-12)24(34)29-16(21(26)31)10-13-3-2-8-28-23(13)33/h6-7,11-13,16,18H,2-5,8-10H2,1H3,(H2,26,31)(H2,27,32)(H,28,33)(H,29,34)/t13-,16-,18-/m0/s1
• InChIKey: OKSVEZDTCKHAAO-OWQGQXMQSA-N
• XLogP: 1.63
• TPSA: 158.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.99
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

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-chloro-4-methoxyindole-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-chloro-4-methoxyindole-2-carboxamide (CID 162478921) 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-chloro-4-methoxyindole-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-chloro-4-methoxyindole-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-chloro-4-methoxyindole-2-carboxamide is COc1ccc(Cl)c2c1cc(C(N)=O)n2[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-chloro-4-methoxyindole-2-carboxamide?

The InChIKey is OKSVEZDTCKHAAO-OWQGQXMQSA-N. The full InChI is InChI=1S/C24H30ClN5O5/c1-35-19-7-6-15(25)20-14(19)11-17(22(27)32)30(20)18(9-12-4-5-12)24(34)29-16(21(26)31)10-13-3-2-8-28-23(13)33/h6-7,11-13,16,18H,2-5,8-10H2,1H3,(H2,26,31)(H2,27,32)(H,28,33)(H,29,34)/t13-,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-chloro-4-methoxyindole-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-chloro-4-methoxyindole-2-carboxamide has a molecular weight of 503.99 g/mol, XLogP of 1.63, 10 rotatable bonds, 4 hydrogen bond donors, and 6 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-chloro-4-methoxyindole-2-carboxamide is sourced from PubChem (CID 162478921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).