N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide

C38H27Cl2N7O4 — CID 146329886

IUPACN-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1oc(-c2ccc3c(c2)c(NC(=O)c2ccno2)nn3Cc2ccc(Cl)cc2)cc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C38H27Cl2N7O4/c1-22-29(37(48)42-35-28-4-2-3-5-31(28)46(44-35)20-23-6-11-26(39)12-7-23)19-34(50-22)25-10-15-32-30(18-25)36(43-38(49)33-16-17-41-51-33)45-47(32)21-24-8-13-27(40)14-9-24/h2-19H,20-21H2,1H3,(H,42,44,48)(H,43,45,49)
InChIKeyZZYZWWNZZJNELQ-UHFFFAOYSA-N
MW716.59 g/mol
LogP8.85
Rot. Bonds9

About N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide

N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 146329886) has the molecular formula C38H27Cl2N7O4 and a molecular weight of 716.59 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID146329886
Molecular FormulaC38H27Cl2N7O4
Molecular Weight716.59 g/mol
Exact Mass715.15
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1oc(-c2ccc3c(c2)c(NC(=O)c2ccno2)nn3Cc2ccc(Cl)cc2)cc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C38H27Cl2N7O4/c1-22-29(37(48)42-35-28-4-2-3-5-31(28)46(44-35)20-23-6-11-26(39)12-7-23)19-34(50-22)25-10-15-32-30(18-25)36(43-38(49)33-16-17-41-51-33)45-47(32)21-24-8-13-27(40)14-9-24/h2-19H,20-21H2,1H3,(H,42,44,48)(H,43,45,49)
InChIKeyZZYZWWNZZJNELQ-UHFFFAOYSA-N
XLogP8.85
TPSA133.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.59
LogP ≤ 58.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide (CID 146329886) is N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide is Cc1oc(-c2ccc3c(c2)c(NC(=O)c2ccno2)nn3Cc2ccc(Cl)cc2)cc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZZYZWWNZZJNELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27Cl2N7O4/c1-22-29(37(48)42-35-28-4-2-3-5-31(28)46(44-35)20-23-6-11-26(39)12-7-23)19-34(50-22)25-10-15-32-30(18-25)36(43-38(49)33-16-17-41-51-33)45-47(32)21-24-8-13-27(40)14-9-24/h2-19H,20-21H2,1H3,(H,42,44,48)(H,43,45,49).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 716.59 g/mol, XLogP of 8.85, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-5-[4-[[1-[(4-chlorophenyl)methyl]indazol-3-yl]carbamoyl]-5-methylfuran-2-yl]indazol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 146329886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).