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

C40H33N7O4 — CID 146330030

IUPACN-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(Cn2nc(NC(=O)c3ccno3)c3cc(-c4cc(C(=O)Nc5nn(Cc6ccc(C)cc6)c6ccccc56)c(C)o4)ccc32)cc1
InChIInChI=1S/C40H33N7O4/c1-24-8-12-27(13-9-24)22-46-33-7-5-4-6-30(33)37(44-46)42-39(48)31-21-36(50-26(31)3)29-16-17-34-32(20-29)38(43-40(49)35-18-19-41-51-35)45-47(34)23-28-14-10-25(2)11-15-28/h4-21H,22-23H2,1-3H3,(H,42,44,48)(H,43,45,49)
InChIKeyKPJZMEFNONFQEZ-UHFFFAOYSA-N
MW675.75 g/mol
LogP8.16
Rot. Bonds9

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

N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 146330030) has the molecular formula C40H33N7O4 and a molecular weight of 675.75 g/mol. Its IUPAC name is N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID146330030
Molecular FormulaC40H33N7O4
Molecular Weight675.75 g/mol
Exact Mass675.26
IUPAC NameN-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(Cn2nc(NC(=O)c3ccno3)c3cc(-c4cc(C(=O)Nc5nn(Cc6ccc(C)cc6)c6ccccc56)c(C)o4)ccc32)cc1
InChIInChI=1S/C40H33N7O4/c1-24-8-12-27(13-9-24)22-46-33-7-5-4-6-30(33)37(44-46)42-39(48)31-21-36(50-26(31)3)29-16-17-34-32(20-29)38(43-40(49)35-18-19-41-51-35)45-47(34)23-28-14-10-25(2)11-15-28/h4-21H,22-23H2,1-3H3,(H,42,44,48)(H,43,45,49)
InChIKeyKPJZMEFNONFQEZ-UHFFFAOYSA-N
XLogP8.16
TPSA133.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.75
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide (CID 146330030) is N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide is Cc1ccc(Cn2nc(NC(=O)c3ccno3)c3cc(-c4cc(C(=O)Nc5nn(Cc6ccc(C)cc6)c6ccccc56)c(C)o4)ccc32)cc1.
What is the InChIKey of N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is KPJZMEFNONFQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N7O4/c1-24-8-12-27(13-9-24)22-46-33-7-5-4-6-30(33)37(44-46)42-39(48)31-21-36(50-26(31)3)29-16-17-34-32(20-29)38(43-40(49)35-18-19-41-51-35)45-47(34)23-28-14-10-25(2)11-15-28/h4-21H,22-23H2,1-3H3,(H,42,44,48)(H,43,45,49).
What are the key properties of N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 675.75 g/mol, XLogP of 8.16, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-methyl-4-[[1-[(4-methylphenyl)methyl]indazol-3-yl]carbamoyl]furan-2-yl]-1-[(4-methylphenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 146330030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).