N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C22H24N4O3 — CID 46416506

IUPACN-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NC1CCCc2c1cnn2Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C22H24N4O3/c1-25(22(28)20-11-6-12-29-20)15-21(27)24-18-9-5-10-19-17(18)13-23-26(19)14-16-7-3-2-4-8-16/h2-4,6-8,11-13,18H,5,9-10,14-15H2,1H3,(H,24,27)
InChIKeyPUXWTBFDZQSWBQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.79
Rot. Bonds6

About N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 46416506) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID46416506
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NC1CCCc2c1cnn2Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C22H24N4O3/c1-25(22(28)20-11-6-12-29-20)15-21(27)24-18-9-5-10-19-17(18)13-23-26(19)14-16-7-3-2-4-8-16/h2-4,6-8,11-13,18H,5,9-10,14-15H2,1H3,(H,24,27)
InChIKeyPUXWTBFDZQSWBQ-UHFFFAOYSA-N
XLogP2.79
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide with MolForge

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Related Compounds

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55622247
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110236802
3-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 166180370
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 55622447
N-[4-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-4-oxobutan-2-yl]benzamide
CID 55622490
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110236796
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 110236779

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 46416506) is N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)NC1CCCc2c1cnn2Cc1ccccc1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is PUXWTBFDZQSWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25(22(28)20-11-6-12-29-20)15-21(27)24-18-9-5-10-19-17(18)13-23-26(19)14-16-7-3-2-4-8-16/h2-4,6-8,11-13,18H,5,9-10,14-15H2,1H3,(H,24,27).
What are the key properties of N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 46416506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).