2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine

C26H22F2N6O2 — CID 145361425

IUPAC2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
SMILESCCOc1cc(F)c(Cc2nn(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
InChIInChI=1S/C26H22F2N6O2/c1-3-36-17-12-20(27)19(21(28)13-17)14-22-18-6-4-5-7-23(18)34(33-22)26-30-15-24(35-2)25(32-26)31-16-8-10-29-11-9-16/h4-13,15H,3,14H2,1-2H3,(H,29,30,31,32)
InChIKeyFSJATJBLYDNGOT-UHFFFAOYSA-N
MW488.50 g/mol
LogP5.23
Rot. Bonds8

About 2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine

2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 145361425) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
PubChem CID145361425
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
SMILESCCOc1cc(F)c(Cc2nn(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
InChIInChI=1S/C26H22F2N6O2/c1-3-36-17-12-20(27)19(21(28)13-17)14-22-18-6-4-5-7-23(18)34(33-22)26-30-15-24(35-2)25(32-26)31-16-8-10-29-11-9-16/h4-13,15H,3,14H2,1-2H3,(H,29,30,31,32)
InChIKeyFSJATJBLYDNGOT-UHFFFAOYSA-N
XLogP5.23
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridazin-4-ylpyrimidin-4-amine
CID 86268107
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-(2-methylsulfonylethoxy)-N-pyridin-4-ylpyrimidin-4-amine
CID 71554403
4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carbonitrile
CID 89487388
1-[3,5-difluoro-4-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]ethanone
CID 86732438
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 130430079
2-[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxy-1-(3-fluoroazetidin-1-yl)ethanone
CID 89487470
2-[1-[1-(2-fluorophenyl)ethyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 130430018
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 118962732
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-6-ethyl-N-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 118962558
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]pyrazolo[5,4-c]pyridin-3-yl]-5-methoxy-N-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 130430033
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-4-amine
CID 118962639
[2-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethyl]morpholin-4-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 130426155

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine (CID 145361425) is 2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine is CCOc1cc(F)c(Cc2nn(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1.
What is the InChIKey of 2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is FSJATJBLYDNGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c1-3-36-17-12-20(27)19(21(28)13-17)14-22-18-6-4-5-7-23(18)34(33-22)26-30-15-24(35-2)25(32-26)31-16-8-10-29-11-9-16/h4-13,15H,3,14H2,1-2H3,(H,29,30,31,32).
What are the key properties of 2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 488.50 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-1-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 145361425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).