(2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol

C24H24FN7O2 — CID 10115560

IUPAC(2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol
SMILESOC[C@H](O)CNCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12
InChIInChI=1S/C24H24FN7O2/c25-19-3-1-2-16(8-19)13-32-22-5-4-20(9-18(22)11-28-32)30-24-23-17(10-26-12-21(34)14-33)6-7-31(23)29-15-27-24/h1-9,11,15,21,26,33-34H,10,12-14H2,(H,27,29,30)/t21-/m1/s1
InChIKeyIFVFKPSEDRDPFI-OAQYLSRUSA-N
MW461.50 g/mol
LogP2.45
Rot. Bonds9

About (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol

(2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol (PubChem CID 10115560) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol
PubChem CID10115560
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name(2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol
SMILESOC[C@H](O)CNCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12
InChIInChI=1S/C24H24FN7O2/c25-19-3-1-2-16(8-19)13-32-22-5-4-20(9-18(22)11-28-32)30-24-23-17(10-26-12-21(34)14-33)6-7-31(23)29-15-27-24/h1-9,11,15,21,26,33-34H,10,12-14H2,(H,27,29,30)/t21-/m1/s1
InChIKeyIFVFKPSEDRDPFI-OAQYLSRUSA-N
XLogP2.45
TPSA112.53 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol?
The IUPAC name of (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol (CID 10115560) is (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol is OC[C@H](O)CNCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12.
What is the InChIKey of (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol?
The InChIKey is IFVFKPSEDRDPFI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24FN7O2/c25-19-3-1-2-16(8-19)13-32-22-5-4-20(9-18(22)11-28-32)30-24-23-17(10-26-12-21(34)14-33)6-7-31(23)29-15-27-24/h1-9,11,15,21,26,33-34H,10,12-14H2,(H,27,29,30)/t21-/m1/s1.
What are the key properties of (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol?
(2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol has a molecular weight of 461.50 g/mol, XLogP of 2.45, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol is sourced from PubChem (CID 10115560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).