(2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate

C23H25Cl2N3O3 — CID 11576262

IUPAC(2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
SMILESCC(C)(CN1CCOCC1)OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C23H25Cl2N3O3/c1-23(2,15-27-9-11-30-12-10-27)31-22(29)21-18-5-3-4-6-20(18)28(26-21)14-16-7-8-17(24)13-19(16)25/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyATFQZNJHQFPJQI-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.66
Rot. Bonds6

About (2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate

(2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate (PubChem CID 11576262) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is (2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate.

Molecular Properties

Compound Name(2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
PubChem CID11576262
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC Name(2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
SMILESCC(C)(CN1CCOCC1)OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C23H25Cl2N3O3/c1-23(2,15-27-9-11-30-12-10-27)31-22(29)21-18-5-3-4-6-20(18)28(26-21)14-16-7-8-17(24)13-19(16)25/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyATFQZNJHQFPJQI-UHFFFAOYSA-N
XLogP4.66
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
The IUPAC name of (2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate (CID 11576262) is (2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate.
What is the SMILES notation for (2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
The canonical SMILES for (2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate is CC(C)(CN1CCOCC1)OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of (2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
The InChIKey is ATFQZNJHQFPJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c1-23(2,15-27-9-11-30-12-10-27)31-22(29)21-18-5-3-4-6-20(18)28(26-21)14-16-7-8-17(24)13-19(16)25/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of (2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate?
(2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate has a molecular weight of 462.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate is sourced from PubChem (CID 11576262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).