N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide

C39H30F3N7O5 — CID 126603619

IUPACN-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CO)cc2)c2cc(-c3cc(C(O)Nc4nn(Cc5ccc(C(F)(F)F)cc5)c5ccccc45)on3)ccc12)c1ccoc1
InChIInChI=1S/C39H30F3N7O5/c40-39(41,42)28-12-9-24(10-13-28)19-48-32-4-2-1-3-29(32)35(45-48)44-38(52)34-18-31(47-54-34)26-11-14-30-33(17-26)49(20-23-5-7-25(21-50)8-6-23)46-36(30)43-37(51)27-15-16-53-22-27/h1-18,22,38,50,52H,19-21H2,(H,44,45)(H,43,46,51)
InChIKeyMFPKIRZYNWHVIW-UHFFFAOYSA-N
MW733.71 g/mol
LogP7.60
Rot. Bonds11

About N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide

N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide (PubChem CID 126603619) has the molecular formula C39H30F3N7O5 and a molecular weight of 733.71 g/mol. Its IUPAC name is N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide
PubChem CID126603619
Molecular FormulaC39H30F3N7O5
Molecular Weight733.71 g/mol
Exact Mass733.23
IUPAC NameN-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CO)cc2)c2cc(-c3cc(C(O)Nc4nn(Cc5ccc(C(F)(F)F)cc5)c5ccccc45)on3)ccc12)c1ccoc1
InChIInChI=1S/C39H30F3N7O5/c40-39(41,42)28-12-9-24(10-13-28)19-48-32-4-2-1-3-29(32)35(45-48)44-38(52)34-18-31(47-54-34)26-11-14-30-33(17-26)49(20-23-5-7-25(21-50)8-6-23)46-36(30)43-37(51)27-15-16-53-22-27/h1-18,22,38,50,52H,19-21H2,(H,44,45)(H,43,46,51)
InChIKeyMFPKIRZYNWHVIW-UHFFFAOYSA-N
XLogP7.60
TPSA156.40 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500733.71
LogP ≤ 57.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide (CID 126603619) is N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide is O=C(Nc1nn(Cc2ccc(CO)cc2)c2cc(-c3cc(C(O)Nc4nn(Cc5ccc(C(F)(F)F)cc5)c5ccccc45)on3)ccc12)c1ccoc1.
What is the InChIKey of N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is MFPKIRZYNWHVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30F3N7O5/c40-39(41,42)28-12-9-24(10-13-28)19-48-32-4-2-1-3-29(32)35(45-48)44-38(52)34-18-31(47-54-34)26-11-14-30-33(17-26)49(20-23-5-7-25(21-50)8-6-23)46-36(30)43-37(51)27-15-16-53-22-27/h1-18,22,38,50,52H,19-21H2,(H,44,45)(H,43,46,51).
What are the key properties of N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide?
N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 733.71 g/mol, XLogP of 7.60, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(hydroxymethyl)phenyl]methyl]-6-[5-[hydroxy-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methyl]-1,2-oxazol-3-yl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 126603619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).