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

C25H22ClN3O2 — CID 22523053

IUPACN-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2
InChIInChI=1S/C25H22ClN3O2/c1-16-22-21(31-24(16)25(30)27-13-17-5-3-2-4-6-17)12-9-19-15-29(28-23(19)22)14-18-7-10-20(26)11-8-18/h2-8,10-11,15H,9,12-14H2,1H3,(H,27,30)
InChIKeyPJMMHYAXTDMACL-UHFFFAOYSA-N
MW431.92 g/mol
LogP5.18
Rot. Bonds5

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

N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 22523053) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID22523053
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC NameN-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2
InChIInChI=1S/C25H22ClN3O2/c1-16-22-21(31-24(16)25(30)27-13-17-5-3-2-4-6-17)12-9-19-15-29(28-23(19)22)14-18-7-10-20(26)11-8-18/h2-8,10-11,15H,9,12-14H2,1H3,(H,27,30)
InChIKeyPJMMHYAXTDMACL-UHFFFAOYSA-N
XLogP5.18
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166096056
2-[(4-chlorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166095989
2-[(3-chlorophenyl)methyl]-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 45106491
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523038
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166096025
N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 20887552
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 20887550
N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523044
N-(3-chloro-2-methylphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523009
2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523122
8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790549
8-methyl-N-[[(2S,3R)-3-methyloxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517977

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 22523053) is N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is Cc1c(C(=O)NCc2ccccc2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is PJMMHYAXTDMACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-16-22-21(31-24(16)25(30)27-13-17-5-3-2-4-6-17)12-9-19-15-29(28-23(19)22)14-18-7-10-20(26)11-8-18/h2-8,10-11,15H,9,12-14H2,1H3,(H,27,30).
What are the key properties of N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 431.92 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 22523053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).