(1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

C24H30N6O3 — CID 143318845

About (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide

(1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 143318845) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 143318845
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: N#CC1C[C@@H]2C[C@@H]2N1C(=O)C(N)CN1C[C@@H]2CC1C(O)N2[C@H]1CCc2cc(C(N)=O)ccc21
• InChI: InChI=1S/C24H30N6O3/c25-9-15-6-14-7-20(14)29(15)23(32)18(26)11-28-10-16-8-21(28)24(33)30(16)19-4-2-12-5-13(22(27)31)1-3-17(12)19/h1,3,5,14-16,18-21,24,33H,2,4,6-8,10-11,26H2,(H2,27,31)/t14-,15?,16+,18?,19+,20+,21?,24?/m1/s1
• InChIKey: MWUXKDLCYUKVBZ-OAFRGMKASA-N
• XLogP: -0.31
• TPSA: 139.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	-0.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 143318845) is (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is N#CC1C[C@@H]2C[C@@H]2N1C(=O)C(N)CN1C[C@@H]2CC1C(O)N2[C@H]1CCc2cc(C(N)=O)ccc21.

What is the InChIKey of (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is MWUXKDLCYUKVBZ-OAFRGMKASA-N. The full InChI is InChI=1S/C24H30N6O3/c25-9-15-6-14-7-20(14)29(15)23(32)18(26)11-28-10-16-8-21(28)24(33)30(16)19-4-2-12-5-13(22(27)31)1-3-17(12)19/h1,3,5,14-16,18-21,24,33H,2,4,6-8,10-11,26H2,(H2,27,31)/t14-,15?,16+,18?,19+,20+,21?,24?/m1/s1.

What are the key properties of (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide?

(1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 450.54 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[(1S)-5-[2-amino-3-[(1S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-3-oxopropyl]-3-hydroxy-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 143318845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).