N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide

C23H27Cl2N5O4 — CID 162478927

About N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide

N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide (PubChem CID 162478927) has the molecular formula C23H27Cl2N5O4 and a molecular weight of 508.41 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide
• PubChem CID: 162478927
• Molecular Formula: C23H27Cl2N5O4
• Molecular Weight: 508.41 g/mol
• Exact Mass: 507.14
• IUPAC Name: N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide
• SMILES: NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1
• InChI: InChI=1S/C23H27Cl2N5O4/c24-14-6-5-12-9-17(28-19(12)18(14)25)23(34)30-16(8-11-3-4-11)22(33)29-15(20(26)31)10-13-2-1-7-27-21(13)32/h5-6,9,11,13,15-16,28H,1-4,7-8,10H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34)/t13-,15-,16-/m0/s1
• InChIKey: FEGBAHWTUXRLID-BPUTZDHNSA-N
• XLogP: 2.26
• TPSA: 146.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.41
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide (CID 162478927) is N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide is NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide?

The InChIKey is FEGBAHWTUXRLID-BPUTZDHNSA-N. The full InChI is InChI=1S/C23H27Cl2N5O4/c24-14-6-5-12-9-17(28-19(12)18(14)25)23(34)30-16(8-11-3-4-11)22(33)29-15(20(26)31)10-13-2-1-7-27-21(13)32/h5-6,9,11,13,15-16,28H,1-4,7-8,10H2,(H2,26,31)(H,27,32)(H,29,33)(H,30,34)/t13-,15-,16-/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide?

N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide has a molecular weight of 508.41 g/mol, XLogP of 2.26, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide is sourced from PubChem (CID 162478927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).