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

C18H26N6O4 — CID 162479438

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

2-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrazole-3-carboxamide (PubChem CID 162479438) has the molecular formula C18H26N6O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrazole-3-carboxamide
• PubChem CID: 162479438
• Molecular Formula: C18H26N6O4
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.20
• IUPAC Name: 2-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrazole-3-carboxamide
• SMILES: NC(=O)c1ccnn1[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O
• InChI: InChI=1S/C18H26N6O4/c19-15(25)12(9-11-2-1-6-21-17(11)27)23-18(28)14(8-10-3-4-10)24-13(16(20)26)5-7-22-24/h5,7,10-12,14H,1-4,6,8-9H2,(H2,19,25)(H2,20,26)(H,21,27)(H,23,28)/t11-,12-,14-/m0/s1
• InChIKey: FPBHNLOHZNDDBH-OBJOEFQTSA-N
• XLogP: -0.79
• TPSA: 162.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	-0.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrazole-3-carboxamide (CID 162479438) is 2-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 2-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrazole-3-carboxamide is NC(=O)c1ccnn1[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(N)=O.

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

The InChIKey is FPBHNLOHZNDDBH-OBJOEFQTSA-N. The full InChI is InChI=1S/C18H26N6O4/c19-15(25)12(9-11-2-1-6-21-17(11)27)23-18(28)14(8-10-3-4-10)24-13(16(20)26)5-7-22-24/h5,7,10-12,14H,1-4,6,8-9H2,(H2,19,25)(H2,20,26)(H,21,27)(H,23,28)/t11-,12-,14-/m0/s1.

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

2-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of -0.79, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 162479438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).