N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C27H26BrN3O3 — CID 20887552

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1oc2c(c1C)-c1nn(Cc3ccc(C)cc3)cc1CC2
InChIInChI=1S/C27H26BrN3O3/c1-16-4-6-18(7-5-16)14-31-15-19-8-10-23-24(25(19)30-31)17(2)26(34-23)27(32)29-13-20-12-21(28)9-11-22(20)33-3/h4-7,9,11-12,15H,8,10,13-14H2,1-3H3,(H,29,32)
InChIKeyMWXVYTIRDGFELY-UHFFFAOYSA-N
MW520.43 g/mol
LogP5.61
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 20887552) has the molecular formula C27H26BrN3O3 and a molecular weight of 520.43 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID20887552
Molecular FormulaC27H26BrN3O3
Molecular Weight520.43 g/mol
Exact Mass519.12
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1oc2c(c1C)-c1nn(Cc3ccc(C)cc3)cc1CC2
InChIInChI=1S/C27H26BrN3O3/c1-16-4-6-18(7-5-16)14-31-15-19-8-10-23-24(25(19)30-31)17(2)26(34-23)27(32)29-13-20-12-21(28)9-11-22(20)33-3/h4-7,9,11-12,15H,8,10,13-14H2,1-3H3,(H,29,32)
InChIKeyMWXVYTIRDGFELY-UHFFFAOYSA-N
XLogP5.61
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.43
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523038
N-[(4-carbamoylphenyl)methyl]-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166096056
N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523044
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
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166096025
N-(5-chloro-2,4-dimethoxyphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523001
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
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 53015719
8-methyl-N-[[(2R)-5-oxooxolan-2-yl]methyl]-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790549
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 20887552) is N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is COc1ccc(Br)cc1CNC(=O)c1oc2c(c1C)-c1nn(Cc3ccc(C)cc3)cc1CC2.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is MWXVYTIRDGFELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrN3O3/c1-16-4-6-18(7-5-16)14-31-15-19-8-10-23-24(25(19)30-31)17(2)26(34-23)27(32)29-13-20-12-21(28)9-11-22(20)33-3/h4-7,9,11-12,15H,8,10,13-14H2,1-3H3,(H,29,32).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 520.43 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 20887552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).