2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine

C24H20F2N6O — CID 86268507

IUPAC2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine
SMILESCCOc1cc(F)c(Cn2nc(-c3cc(Nc4cn[nH]c4)ccn3)c3ccccc32)c(F)c1
InChIInChI=1S/C24H20F2N6O/c1-2-33-17-10-20(25)19(21(26)11-17)14-32-23-6-4-3-5-18(23)24(31-32)22-9-15(7-8-27-22)30-16-12-28-29-13-16/h3-13H,2,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyUGOWSYNBMNIZJE-UHFFFAOYSA-N
MW446.46 g/mol
LogP5.29
Rot. Bonds7

About 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine

2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine (PubChem CID 86268507) has the molecular formula C24H20F2N6O and a molecular weight of 446.46 g/mol. Its IUPAC name is 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine
PubChem CID86268507
Molecular FormulaC24H20F2N6O
Molecular Weight446.46 g/mol
Exact Mass446.17
IUPAC Name2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine
SMILESCCOc1cc(F)c(Cn2nc(-c3cc(Nc4cn[nH]c4)ccn3)c3ccccc32)c(F)c1
InChIInChI=1S/C24H20F2N6O/c1-2-33-17-10-20(25)19(21(26)11-17)14-32-23-6-4-3-5-18(23)24(31-32)22-9-15(7-8-27-22)30-16-12-28-29-13-16/h3-13H,2,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyUGOWSYNBMNIZJE-UHFFFAOYSA-N
XLogP5.29
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine?
The IUPAC name of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine (CID 86268507) is 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine.
What is the SMILES notation for 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine?
The canonical SMILES for 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine is CCOc1cc(F)c(Cn2nc(-c3cc(Nc4cn[nH]c4)ccn3)c3ccccc32)c(F)c1.
What is the InChIKey of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine?
The InChIKey is UGOWSYNBMNIZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O/c1-2-33-17-10-20(25)19(21(26)11-17)14-32-23-6-4-3-5-18(23)24(31-32)22-9-15(7-8-27-22)30-16-12-28-29-13-16/h3-13H,2,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine?
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine has a molecular weight of 446.46 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-(1H-pyrazol-4-yl)pyridin-4-amine is sourced from PubChem (CID 86268507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).