6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C22H20N4O3 — CID 18445768

IUPAC6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(NCc3cc(-c4ccccc4)on3)c1C2
InChIInChI=1S/C22H20N4O3/c1-27-19-9-14-8-17-21(16(14)11-20(19)28-2)24-25-22(17)23-12-15-10-18(29-26-15)13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H2,23,24,25)
InChIKeyFHBZCYNJUVQTFO-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.27
Rot. Bonds6

About 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445768) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445768
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(NCc3cc(-c4ccccc4)on3)c1C2
InChIInChI=1S/C22H20N4O3/c1-27-19-9-14-8-17-21(16(14)11-20(19)28-2)24-25-22(17)23-12-15-10-18(29-26-15)13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H2,23,24,25)
InChIKeyFHBZCYNJUVQTFO-UHFFFAOYSA-N
XLogP4.27
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445751
N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445835
N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445506
N-[[2-(2,2-difluoroethyl)phenyl]methyl]-6,7-diethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 71020205
6,7-dimethoxy-N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 10359698
3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
CID 18445564
[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol
CID 18445566
methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate
CID 141081209
6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 11569396
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445548
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866534
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445768) is 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc2c(cc1OC)-c1[nH]nc(NCc3cc(-c4ccccc4)on3)c1C2.
What is the InChIKey of 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is FHBZCYNJUVQTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-27-19-9-14-8-17-21(16(14)11-20(19)28-2)24-25-22(17)23-12-15-10-18(29-26-15)13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H2,23,24,25).
What are the key properties of 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 388.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).