3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide

C43H33F2N5O2 — CID 67186340

IUPAC3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1cccc(-c2cccc3nn(Cc4ccc(F)cc4)cc23)c1)N(CCO)c1cccc(-c2cccc3nn(Cc4ccc(F)cc4)cc23)c1
InChIInChI=1S/C43H33F2N5O2/c44-34-17-13-29(14-18-34)25-48-27-39-37(9-3-11-41(39)46-48)31-5-1-7-33(23-31)43(52)50(21-22-51)36-8-2-6-32(24-36)38-10-4-12-42-40(38)28-49(47-42)26-30-15-19-35(45)20-16-30/h1-20,23-24,27-28,51H,21-22,25-26H2
InChIKeyQOUWGFUAWNVUMO-UHFFFAOYSA-N
MW689.77 g/mol
LogP8.73
Rot. Bonds10

About 3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide

3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 67186340) has the molecular formula C43H33F2N5O2 and a molecular weight of 689.77 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide
PubChem CID67186340
Molecular FormulaC43H33F2N5O2
Molecular Weight689.77 g/mol
Exact Mass689.26
IUPAC Name3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1cccc(-c2cccc3nn(Cc4ccc(F)cc4)cc23)c1)N(CCO)c1cccc(-c2cccc3nn(Cc4ccc(F)cc4)cc23)c1
InChIInChI=1S/C43H33F2N5O2/c44-34-17-13-29(14-18-34)25-48-27-39-37(9-3-11-41(39)46-48)31-5-1-7-33(23-31)43(52)50(21-22-51)36-8-2-6-32(24-36)38-10-4-12-42-40(38)28-49(47-42)26-30-15-19-35(45)20-16-30/h1-20,23-24,27-28,51H,21-22,25-26H2
InChIKeyQOUWGFUAWNVUMO-UHFFFAOYSA-N
XLogP8.73
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.77
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide (CID 67186340) is 3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide is O=C(c1cccc(-c2cccc3nn(Cc4ccc(F)cc4)cc23)c1)N(CCO)c1cccc(-c2cccc3nn(Cc4ccc(F)cc4)cc23)c1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is QOUWGFUAWNVUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33F2N5O2/c44-34-17-13-29(14-18-34)25-48-27-39-37(9-3-11-41(39)46-48)31-5-1-7-33(23-31)43(52)50(21-22-51)36-8-2-6-32(24-36)38-10-4-12-42-40(38)28-49(47-42)26-30-15-19-35(45)20-16-30/h1-20,23-24,27-28,51H,21-22,25-26H2.
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide?
3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 689.77 g/mol, XLogP of 8.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]-N-[3-[2-[(4-fluorophenyl)methyl]indazol-4-yl]phenyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 67186340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).