N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C27H25N3O4 — CID 22523038

IUPACN-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1ccc(Cn2cc3c(n2)-c2c(oc(C(=O)NCc4ccc5c(c4)OCO5)c2C)CC3)cc1
InChIInChI=1S/C27H25N3O4/c1-16-3-5-18(6-4-16)13-30-14-20-8-10-22-24(25(20)29-30)17(2)26(34-22)27(31)28-12-19-7-9-21-23(11-19)33-15-32-21/h3-7,9,11,14H,8,10,12-13,15H2,1-2H3,(H,28,31)
InChIKeyRVWWFAPYIKCWOV-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.57
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 22523038) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID22523038
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1ccc(Cn2cc3c(n2)-c2c(oc(C(=O)NCc4ccc5c(c4)OCO5)c2C)CC3)cc1
InChIInChI=1S/C27H25N3O4/c1-16-3-5-18(6-4-16)13-30-14-20-8-10-22-24(25(20)29-30)17(2)26(34-22)27(31)28-12-19-7-9-21-23(11-19)33-15-32-21/h3-7,9,11,14H,8,10,12-13,15H2,1-2H3,(H,28,31)
InChIKeyRVWWFAPYIKCWOV-UHFFFAOYSA-N
XLogP4.57
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[(4-chlorophenyl)methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523053
N-(3-acetylphenyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523044
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-[(E)-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-2-carboxamide
CID 19158612
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N,8-dimethyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 166096025
N-(1,3-benzodioxol-5-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide
CID 2979618
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 975628
N-(1,3-benzodioxol-5-ylmethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 9327338
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 35763960
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175390
2-[(2-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 22523122
N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 35763955

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 22523038) is N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is Cc1ccc(Cn2cc3c(n2)-c2c(oc(C(=O)NCc4ccc5c(c4)OCO5)c2C)CC3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is RVWWFAPYIKCWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-16-3-5-18(6-4-16)13-30-14-20-8-10-22-24(25(20)29-30)17(2)26(34-22)27(31)28-12-19-7-9-21-23(11-19)33-15-32-21/h3-7,9,11,14H,8,10,12-13,15H2,1-2H3,(H,28,31).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-2-[(4-methylphenyl)methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 22523038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).