4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine

C28H26F2N6O — CID 167427908

IUPAC4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine
SMILESCc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3c(c2)c(F)nn3C2CCCCO2)n1
InChIInChI=1S/C28H26F2N6O/c1-17-7-6-10-22(32-17)26-25(33-28(34-26)31-16-19-8-2-3-9-21(19)29)18-12-13-23-20(15-18)27(30)35-36(23)24-11-4-5-14-37-24/h2-3,6-10,12-13,15,24H,4-5,11,14,16H2,1H3,(H2,31,33,34)
InChIKeyYBNBENXFHPUTNM-UHFFFAOYSA-N
MW500.55 g/mol
LogP6.39
Rot. Bonds6

About 4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine

4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine (PubChem CID 167427908) has the molecular formula C28H26F2N6O and a molecular weight of 500.55 g/mol. Its IUPAC name is 4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine
PubChem CID167427908
Molecular FormulaC28H26F2N6O
Molecular Weight500.55 g/mol
Exact Mass500.21
IUPAC Name4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine
SMILESCc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3c(c2)c(F)nn3C2CCCCO2)n1
InChIInChI=1S/C28H26F2N6O/c1-17-7-6-10-22(32-17)26-25(33-28(34-26)31-16-19-8-2-3-9-21(19)29)18-12-13-23-20(15-18)27(30)35-36(23)24-11-4-5-14-37-24/h2-3,6-10,12-13,15,24H,4-5,11,14,16H2,1H3,(H2,31,33,34)
InChIKeyYBNBENXFHPUTNM-UHFFFAOYSA-N
XLogP6.39
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine?
The IUPAC name of 4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine (CID 167427908) is 4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine?
The canonical SMILES for 4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine is Cc1cccc(-c2[nH]c(NCc3ccccc3F)nc2-c2ccc3c(c2)c(F)nn3C2CCCCO2)n1.
What is the InChIKey of 4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine?
The InChIKey is YBNBENXFHPUTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O/c1-17-7-6-10-22(32-17)26-25(33-28(34-26)31-16-19-8-2-3-9-21(19)29)18-12-13-23-20(15-18)27(30)35-36(23)24-11-4-5-14-37-24/h2-3,6-10,12-13,15,24H,4-5,11,14,16H2,1H3,(H2,31,33,34).
What are the key properties of 4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine?
4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine has a molecular weight of 500.55 g/mol, XLogP of 6.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-N-[(2-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-amine is sourced from PubChem (CID 167427908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).