5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine

C27H26FN7O — CID 89487481

IUPAC5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
SMILESCN(C)CCOc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C27H26FN7O/c1-34(2)15-16-36-24-17-30-27(32-26(24)31-20-11-13-29-14-12-20)25-21-8-4-6-10-23(21)35(33-25)18-19-7-3-5-9-22(19)28/h3-14,17H,15-16,18H2,1-2H3,(H,29,30,31,32)
InChIKeyOJDMEGRZKFGXIX-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.76
Rot. Bonds9

About 5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine

5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 89487481) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
PubChem CID89487481
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC Name5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
SMILESCN(C)CCOc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C27H26FN7O/c1-34(2)15-16-36-24-17-30-27(32-26(24)31-20-11-13-29-14-12-20)25-21-8-4-6-10-23(21)35(33-25)18-19-7-3-5-9-22(19)28/h3-14,17H,15-16,18H2,1-2H3,(H,29,30,31,32)
InChIKeyOJDMEGRZKFGXIX-UHFFFAOYSA-N
XLogP4.76
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine (CID 89487481) is 5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine is CN(C)CCOc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is OJDMEGRZKFGXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-34(2)15-16-36-24-17-30-27(32-26(24)31-20-11-13-29-14-12-20)25-21-8-4-6-10-23(21)35(33-25)18-19-7-3-5-9-22(19)28/h3-14,17H,15-16,18H2,1-2H3,(H,29,30,31,32).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine?
5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 483.55 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 89487481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).