5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C24H30N4O4 — CID 45160889

IUPAC5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccc(CNC2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c(OC)c1
InChIInChI=1S/C24H30N4O4/c1-27(15-19-6-5-11-32-19)24(29)23-20-12-17(8-10-21(20)28(2)26-23)25-14-16-7-9-18(30-3)13-22(16)31-4/h5-7,9,11,13,17,25H,8,10,12,14-15H2,1-4H3
InChIKeyLLCKCCQGDRPLRC-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.95
Rot. Bonds8

About 5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide

5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45160889) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45160889
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccc(CNC2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c(OC)c1
InChIInChI=1S/C24H30N4O4/c1-27(15-19-6-5-11-32-19)24(29)23-20-12-17(8-10-21(20)28(2)26-23)25-14-16-7-9-18(30-3)13-22(16)31-4/h5-7,9,11,13,17,25H,8,10,12,14-15H2,1-4H3
InChIKeyLLCKCCQGDRPLRC-UHFFFAOYSA-N
XLogP2.95
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162389
(5R)-5-(2,3-dihydro-1H-inden-2-ylamino)-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26230872
(5R)-N-(furan-2-ylmethyl)-N,1-dimethyl-5-(3-propan-2-yloxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26142306
5-[2-(4-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160444
N-benzyl-5-[(4-methoxyphenyl)methylamino]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162273
N-(furan-2-ylmethyl)-N,1-dimethyl-5-[(1-morpholin-4-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161168
N-(furan-2-ylmethyl)-N,1-dimethyl-5-thiomorpholin-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164401
(5S)-5-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26228323
1-ethyl-N-(furan-2-ylmethyl)-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165066
5-(1,3-benzothiazol-2-ylmethylamino)-1-ethyl-N-(furan-2-ylmethyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163985
N-(furan-2-ylmethyl)-5-[4-(2-hydroxyphenyl)piperazin-1-yl]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164396
(5S)-5-[4-(2-adamantyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 92770097

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45160889) is 5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide is COc1ccc(CNC2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is LLCKCCQGDRPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-27(15-19-6-5-11-32-19)24(29)23-20-12-17(8-10-21(20)28(2)26-23)25-14-16-7-9-18(30-3)13-22(16)31-4/h5-7,9,11,13,17,25H,8,10,12,14-15H2,1-4H3.
What are the key properties of 5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45160889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).