N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide

C22H22N4O3 — CID 124738271

IUPACN'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCc4cn[nH]c4C3)cc2)cc1
InChIInChI=1S/C22H22N4O3/c1-14-2-8-18(9-3-14)29-19-10-6-16(7-11-19)24-21(27)22(28)25-17-5-4-15-13-23-26-20(15)12-17/h2-3,6-11,13,17H,4-5,12H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t17-/m1/s1
InChIKeyQSAITNWUUMIQNQ-QGZVFWFLSA-N
MW390.44 g/mol
LogP3.12
Rot. Bonds4

About N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide

N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide (PubChem CID 124738271) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide.

Molecular Properties

Compound NameN'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
PubChem CID124738271
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCc4cn[nH]c4C3)cc2)cc1
InChIInChI=1S/C22H22N4O3/c1-14-2-8-18(9-3-14)29-19-10-6-16(7-11-19)24-21(27)22(28)25-17-5-4-15-13-23-26-20(15)12-17/h2-3,6-11,13,17H,4-5,12H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t17-/m1/s1
InChIKeyQSAITNWUUMIQNQ-QGZVFWFLSA-N
XLogP3.12
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide with MolForge

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Related Compounds

N'-(4-phenylphenyl)-N-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
CID 124860523
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
CID 68757924
N'-(4-methylphenyl)-N-(6-oxopiperidin-3-yl)oxamide
CID 62734491
6-methyl-2-oxo-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1H-quinoline-4-carboxamide
CID 126433679
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
methyl 5-[[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]carbamoylamino]thiophene-3-carboxylate
CID 124889142
N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide
CID 167920541
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
2-[1-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-6-ylamino)ethyl]cyclohexyl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 166218088
1-[(2S,3R)-2-phenyloxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-6-yl)urea
CID 136584840
3-imidazol-1-yl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)propanamide
CID 127463043

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide?
The IUPAC name of N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide (CID 124738271) is N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide.
What is the SMILES notation for N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide?
The canonical SMILES for N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide is Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCc4cn[nH]c4C3)cc2)cc1.
What is the InChIKey of N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide?
The InChIKey is QSAITNWUUMIQNQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-2-8-18(9-3-14)29-19-10-6-16(7-11-19)24-21(27)22(28)25-17-5-4-15-13-23-26-20(15)12-17/h2-3,6-11,13,17H,4-5,12H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t17-/m1/s1.
What are the key properties of N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide?
N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide has a molecular weight of 390.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide is sourced from PubChem (CID 124738271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).