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

C22H24ClN3O3 — CID 166096025

IUPAC2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCOCCN(C)C(=O)c1oc2c(c1C)-c1nn(Cc3ccc(Cl)cc3)cc1CC2
InChIInChI=1S/C22H24ClN3O3/c1-14-19-18(29-21(14)22(27)25(2)10-11-28-3)9-6-16-13-26(24-20(16)19)12-15-4-7-17(23)8-5-15/h4-5,7-8,13H,6,9-12H2,1-3H3
InChIKeyMBLZTPVZDKDPAG-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.97
Rot. Bonds6

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

2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 166096025) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID166096025
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCOCCN(C)C(=O)c1oc2c(c1C)-c1nn(Cc3ccc(Cl)cc3)cc1CC2
InChIInChI=1S/C22H24ClN3O3/c1-14-19-18(29-21(14)22(27)25(2)10-11-28-3)9-6-16-13-26(24-20(16)19)12-15-4-7-17(23)8-5-15/h4-5,7-8,13H,6,9-12H2,1-3H3
InChIKeyMBLZTPVZDKDPAG-UHFFFAOYSA-N
XLogP3.97
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 166096025) is 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is COCCN(C)C(=O)c1oc2c(c1C)-c1nn(Cc3ccc(Cl)cc3)cc1CC2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is MBLZTPVZDKDPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-14-19-18(29-21(14)22(27)25(2)10-11-28-3)9-6-16-13-26(24-20(16)19)12-15-4-7-17(23)8-5-15/h4-5,7-8,13H,6,9-12H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 166096025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).