[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone

C25H23ClN4O3 — CID 15605519

IUPAC[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(C(=O)c2nc3cc4c[nH]n(C)c4cc3n2)o1
InChIInChI=1S/C25H23ClN4O3/c1-14(2)13-32-22-6-4-17(26)8-15(22)9-18-5-7-23(33-18)24(31)25-28-19-10-16-12-27-30(3)21(16)11-20(19)29-25/h4-8,10-12,14,27H,9,13H2,1-3H3
InChIKeyRFWZEVCGOYOYGP-UHFFFAOYSA-N
MW462.94 g/mol
LogP5.55
Rot. Bonds7

About [5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone

[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone (PubChem CID 15605519) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is [5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone.

Molecular Properties

Compound Name[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone
PubChem CID15605519
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone
SMILESCC(C)COc1ccc(Cl)cc1Cc1ccc(C(=O)c2nc3cc4c[nH]n(C)c4cc3n2)o1
InChIInChI=1S/C25H23ClN4O3/c1-14(2)13-32-22-6-4-17(26)8-15(22)9-18-5-7-23(33-18)24(31)25-28-19-10-16-12-27-30(3)21(16)11-20(19)29-25/h4-8,10-12,14,27H,9,13H2,1-3H3
InChIKeyRFWZEVCGOYOYGP-UHFFFAOYSA-N
XLogP5.55
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.94
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone?
The IUPAC name of [5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone (CID 15605519) is [5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone.
What is the SMILES notation for [5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone?
The canonical SMILES for [5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone is CC(C)COc1ccc(Cl)cc1Cc1ccc(C(=O)c2nc3cc4c[nH]n(C)c4cc3n2)o1.
What is the InChIKey of [5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone?
The InChIKey is RFWZEVCGOYOYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-14(2)13-32-22-6-4-17(26)8-15(22)9-18-5-7-23(33-18)24(31)25-28-19-10-16-12-27-30(3)21(16)11-20(19)29-25/h4-8,10-12,14,27H,9,13H2,1-3H3.
What are the key properties of [5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone?
[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone has a molecular weight of 462.94 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-(1-methyl-2H-imidazo[4,5-f]indazol-6-yl)methanone is sourced from PubChem (CID 15605519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).