(1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C26H29Cl2N7O4 — CID 72710230

About (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 72710230) has the molecular formula C26H29Cl2N7O4 and a molecular weight of 574.47 g/mol. Its IUPAC name is (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

• Compound Name: (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
• PubChem CID: 72710230
• Molecular Formula: C26H29Cl2N7O4
• Molecular Weight: 574.47 g/mol
• Exact Mass: 573.17
• IUPAC Name: (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
• SMILES: CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](C)[C@H]2CC2(Cl)Cl)c2ccc(OCc3ncn(C)n3)cc12
• InChI: InChI=1S/C26H29Cl2N7O4/c1-13(18-9-26(18,27)28)30-25(38)21-7-15-6-20(15)35(21)23(37)10-34-19-5-4-16(8-17(19)24(32-34)14(2)36)39-11-22-29-12-33(3)31-22/h4-5,8,12-13,15,18,20-21H,6-7,9-11H2,1-3H3,(H,30,38)/t13-,15-,18-,20-,21+/m1/s1
• InChIKey: VFBROCSOVOYXMH-WUMSVNFJSA-N
• XLogP: 2.63
• TPSA: 124.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.47
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The IUPAC name of (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 72710230) is (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

What is the SMILES notation for (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The canonical SMILES for (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](C)[C@H]2CC2(Cl)Cl)c2ccc(OCc3ncn(C)n3)cc12.

What is the InChIKey of (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

The InChIKey is VFBROCSOVOYXMH-WUMSVNFJSA-N. The full InChI is InChI=1S/C26H29Cl2N7O4/c1-13(18-9-26(18,27)28)30-25(38)21-7-15-6-20(15)35(21)23(37)10-34-19-5-4-16(8-17(19)24(32-34)14(2)36)39-11-22-29-12-33(3)31-22/h4-5,8,12-13,15,18,20-21H,6-7,9-11H2,1-3H3,(H,30,38)/t13-,15-,18-,20-,21+/m1/s1.

What are the key properties of (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?

(1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 574.47 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,3S,5R)-2-[2-[3-acetyl-5-[(1-methyl-1,2,4-triazol-3-yl)methoxy]indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 72710230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).