N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide

C37H26F2N8O4 — CID 146329885

IUPACN-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(F)cc2)c2ccc(-c3cc(C(=O)Nc4nn(Cc5ccc(F)cc5)c5ccccc45)on3)cc12
InChIInChI=1S/C37H26F2N8O4/c1-21-29(20-50-44-21)36(48)40-35-28-16-24(10-15-32(28)47(43-35)19-23-8-13-26(39)14-9-23)30-17-33(51-45-30)37(49)41-34-27-4-2-3-5-31(27)46(42-34)18-22-6-11-25(38)12-7-22/h2-17,20H,18-19H2,1H3,(H,40,43,48)(H,41,42,49)
InChIKeyOVXDWUYDTISBHB-UHFFFAOYSA-N
MW684.66 g/mol
LogP7.22
Rot. Bonds9

About N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide

N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide (PubChem CID 146329885) has the molecular formula C37H26F2N8O4 and a molecular weight of 684.66 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide
PubChem CID146329885
Molecular FormulaC37H26F2N8O4
Molecular Weight684.66 g/mol
Exact Mass684.20
IUPAC NameN-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(F)cc2)c2ccc(-c3cc(C(=O)Nc4nn(Cc5ccc(F)cc5)c5ccccc45)on3)cc12
InChIInChI=1S/C37H26F2N8O4/c1-21-29(20-50-44-21)36(48)40-35-28-16-24(10-15-32(28)47(43-35)19-23-8-13-26(39)14-9-23)30-17-33(51-45-30)37(49)41-34-27-4-2-3-5-31(27)46(42-34)18-22-6-11-25(38)12-7-22/h2-17,20H,18-19H2,1H3,(H,40,43,48)(H,41,42,49)
InChIKeyOVXDWUYDTISBHB-UHFFFAOYSA-N
XLogP7.22
TPSA145.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.66
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide (CID 146329885) is N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide is Cc1nocc1C(=O)Nc1nn(Cc2ccc(F)cc2)c2ccc(-c3cc(C(=O)Nc4nn(Cc5ccc(F)cc5)c5ccccc45)on3)cc12.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is OVXDWUYDTISBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26F2N8O4/c1-21-29(20-50-44-21)36(48)40-35-28-16-24(10-15-32(28)47(43-35)19-23-8-13-26(39)14-9-23)30-17-33(51-45-30)37(49)41-34-27-4-2-3-5-31(27)46(42-34)18-22-6-11-25(38)12-7-22/h2-17,20H,18-19H2,1H3,(H,40,43,48)(H,41,42,49).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide?
N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 684.66 g/mol, XLogP of 7.22, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]-3-[(3-methyl-1,2-oxazole-4-carbonyl)amino]indazol-5-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 146329885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).