2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine

C24H20N6O — CID 89487698

IUPAC2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Cn2nc(-c3nccc(Nc4ccncc4)n3)c3ccccc32)cc1
InChIInChI=1S/C24H20N6O/c1-31-19-8-6-17(7-9-19)16-30-21-5-3-2-4-20(21)23(29-30)24-26-15-12-22(28-24)27-18-10-13-25-14-11-18/h2-15H,16H2,1H3,(H,25,26,27,28)
InChIKeyAKHGAOSWYIFKNV-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.69
Rot. Bonds6

About 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine

2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 89487698) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
PubChem CID89487698
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Cn2nc(-c3nccc(Nc4ccncc4)n3)c3ccccc32)cc1
InChIInChI=1S/C24H20N6O/c1-31-19-8-6-17(7-9-19)16-30-21-5-3-2-4-20(21)23(29-30)24-26-15-12-22(28-24)27-18-10-13-25-14-11-18/h2-15H,16H2,1H3,(H,25,26,27,28)
InChIKeyAKHGAOSWYIFKNV-UHFFFAOYSA-N
XLogP4.69
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine (CID 89487698) is 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine is COc1ccc(Cn2nc(-c3nccc(Nc4ccncc4)n3)c3ccccc32)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is AKHGAOSWYIFKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-31-19-8-6-17(7-9-19)16-30-21-5-3-2-4-20(21)23(29-30)24-26-15-12-22(28-24)27-18-10-13-25-14-11-18/h2-15H,16H2,1H3,(H,25,26,27,28).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine?
2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 408.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 89487698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).