2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C22H24ClN3O3 — CID 166095989

IUPAC2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)O)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2
InChIInChI=1S/C22H24ClN3O3/c1-13-18-17(29-20(13)21(27)24-12-22(2,3)28)9-6-15-11-26(25-19(15)18)10-14-4-7-16(23)8-5-14/h4-5,7-8,11,28H,6,9-10,12H2,1-3H3,(H,24,27)
InChIKeyPXWHPEFNRNJHKL-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.75
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 166095989) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID166095989
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NCC(C)(C)O)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2
InChIInChI=1S/C22H24ClN3O3/c1-13-18-17(29-20(13)21(27)24-12-22(2,3)28)9-6-15-11-26(25-19(15)18)10-14-4-7-16(23)8-5-14/h4-5,7-8,11,28H,6,9-10,12H2,1-3H3,(H,24,27)
InChIKeyPXWHPEFNRNJHKL-UHFFFAOYSA-N
XLogP3.75
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 166095989) is 2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is Cc1c(C(=O)NCC(C)(C)O)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is PXWHPEFNRNJHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-13-18-17(29-20(13)21(27)24-12-22(2,3)28)9-6-15-11-26(25-19(15)18)10-14-4-7-16(23)8-5-14/h4-5,7-8,11,28H,6,9-10,12H2,1-3H3,(H,24,27).
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 166095989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).