1-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrrolo[3,2-c]pyridine-2-carboxamide

C22H28N6O4 — CID 162479484

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]pyrrolo[3,2-c]pyridine-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]pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 162479484) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 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]pyrrolo[3,2-c]pyridine-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]pyrrolo[3,2-c]pyridine-2-carboxamide
• PubChem CID: 162479484
• Molecular Formula: C22H28N6O4
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.22
• 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]pyrrolo[3,2-c]pyridine-2-carboxamide
• SMILES: NC(=O)c1cc2cnccc2n1[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O
• InChI: InChI=1S/C22H28N6O4/c23-19(29)15(9-13-2-1-6-26-21(13)31)27-22(32)18(8-12-3-4-12)28-16-5-7-25-11-14(16)10-17(28)20(24)30/h5,7,10-13,15,18H,1-4,6,8-9H2,(H2,23,29)(H2,24,30)(H,26,31)(H,27,32)/t13-,15-,18-/m0/s1
• InChIKey: ZVFLJYRQOQJTBZ-YEWWUXTCSA-N
• XLogP: 0.36
• TPSA: 162.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	0.36
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]pyrrolo[3,2-c]pyridine-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]pyrrolo[3,2-c]pyridine-2-carboxamide (CID 162479484) 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]pyrrolo[3,2-c]pyridine-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]pyrrolo[3,2-c]pyridine-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]pyrrolo[3,2-c]pyridine-2-carboxamide is NC(=O)c1cc2cnccc2n1[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]pyrrolo[3,2-c]pyridine-2-carboxamide?

The InChIKey is ZVFLJYRQOQJTBZ-YEWWUXTCSA-N. The full InChI is InChI=1S/C22H28N6O4/c23-19(29)15(9-13-2-1-6-26-21(13)31)27-22(32)18(8-12-3-4-12)28-16-5-7-25-11-14(16)10-17(28)20(24)30/h5,7,10-13,15,18H,1-4,6,8-9H2,(H2,23,29)(H2,24,30)(H,26,31)(H,27,32)/t13-,15-,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]pyrrolo[3,2-c]pyridine-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]pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 0.36, 9 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]pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 162479484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).