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

C25H20F2N6O2 — CID 71554480

IUPAC2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2nn(Cc3c(F)ccc(OC)c3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C25H20F2N6O2/c1-34-20-8-7-18(26)17(22(20)27)14-33-19-6-4-3-5-16(19)23(32-33)25-29-13-21(35-2)24(31-25)30-15-9-11-28-12-10-15/h3-13H,14H2,1-2H3,(H,28,29,30,31)
InChIKeyDJDRRVBSAWOMEX-UHFFFAOYSA-N
MW474.47 g/mol
LogP4.98
Rot. Bonds7

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

2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 71554480) has the molecular formula C25H20F2N6O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is 2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
PubChem CID71554480
Molecular FormulaC25H20F2N6O2
Molecular Weight474.47 g/mol
Exact Mass474.16
IUPAC Name2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2nn(Cc3c(F)ccc(OC)c3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C25H20F2N6O2/c1-34-20-8-7-18(26)17(22(20)27)14-33-19-6-4-3-5-16(19)23(32-33)25-29-13-21(35-2)24(31-25)30-15-9-11-28-12-10-15/h3-13H,14H2,1-2H3,(H,28,29,30,31)
InChIKeyDJDRRVBSAWOMEX-UHFFFAOYSA-N
XLogP4.98
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine (CID 71554480) is 2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine is COc1cnc(-c2nn(Cc3c(F)ccc(OC)c3F)c3ccccc23)nc1Nc1ccncc1.
What is the InChIKey of 2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is DJDRRVBSAWOMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O2/c1-34-20-8-7-18(26)17(22(20)27)14-33-19-6-4-3-5-16(19)23(32-33)25-29-13-21(35-2)24(31-25)30-15-9-11-28-12-10-15/h3-13H,14H2,1-2H3,(H,28,29,30,31).
What are the key properties of 2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine?
2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 474.47 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-difluoro-3-methoxyphenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 71554480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).