N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C24H30N4O3 — CID 118758041

IUPACN-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(CNC(=O)c1n[nH]c2c1CCCC2)Oc1cccc(CN(C)Cc2ccoc2)c1
InChIInChI=1S/C24H30N4O3/c1-17(13-25-24(29)23-21-8-3-4-9-22(21)26-27-23)31-20-7-5-6-18(12-20)14-28(2)15-19-10-11-30-16-19/h5-7,10-12,16-17H,3-4,8-9,13-15H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyBOUJPUUIMYBWQU-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.71
Rot. Bonds9

About N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 118758041) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID118758041
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(CNC(=O)c1n[nH]c2c1CCCC2)Oc1cccc(CN(C)Cc2ccoc2)c1
InChIInChI=1S/C24H30N4O3/c1-17(13-25-24(29)23-21-8-3-4-9-22(21)26-27-23)31-20-7-5-6-18(12-20)14-28(2)15-19-10-11-30-16-19/h5-7,10-12,16-17H,3-4,8-9,13-15H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyBOUJPUUIMYBWQU-UHFFFAOYSA-N
XLogP3.71
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 118755066
N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 46992006
4-methyl-N-[2-[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]propyl]benzamide
CID 45174095
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 45194851
3,4-difluoro-N-[(2S)-2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]benzenesulfonamide
CID 42330883
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110621461
N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide
CID 42499806
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605
3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 45253226
N-[(2R)-2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26341394
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
(2R)-1-[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28956370

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 118758041) is N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC(CNC(=O)c1n[nH]c2c1CCCC2)Oc1cccc(CN(C)Cc2ccoc2)c1.
What is the InChIKey of N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is BOUJPUUIMYBWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17(13-25-24(29)23-21-8-3-4-9-22(21)26-27-23)31-20-7-5-6-18(12-20)14-28(2)15-19-10-11-30-16-19/h5-7,10-12,16-17H,3-4,8-9,13-15H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 118758041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).