6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine

C24H23F3N6O — CID 157351254

IUPAC6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
SMILESCC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)nc4)c3F)cc(F)c2C1
InChIInChI=1S/C24H23F3N6O/c1-14-9-16-17(10-14)21(26)19(11-18(16)25)34-24-22(27)23(29-13-30-24)31-15-3-4-20(28-12-15)33-7-5-32(2)6-8-33/h3-4,10-13H,5-9H2,1-2H3,(H,29,30,31)
InChIKeyNQOKTUJPIWPQNB-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.54
Rot. Bonds5

About 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine

6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 157351254) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID157351254
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
SMILESCC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)nc4)c3F)cc(F)c2C1
InChIInChI=1S/C24H23F3N6O/c1-14-9-16-17(10-14)21(26)19(11-18(16)25)34-24-22(27)23(29-13-30-24)31-15-3-4-20(28-12-15)33-7-5-32(2)6-8-33/h3-4,10-13H,5-9H2,1-2H3,(H,29,30,31)
InChIKeyNQOKTUJPIWPQNB-UHFFFAOYSA-N
XLogP4.54
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
CID 158616176
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine
CID 161414664
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine
CID 157116251
5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine;5-bromo-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;5-chloro-6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-(4-piperazin-1-ylphenyl)pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)phenyl]-5-isocyanopyrimidin-4-amine
CID 162200241
1-[4-[4-[[5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 159071203
5-cyclobutyl-N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 158476722
6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-5-fluoro-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 134575929
N-[2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-ethyl-1,2-oxazol-5-amine
CID 160548406
2-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenol
CID 161000594
6-(4,7-difluoro-1,2-dimethylindol-5-yl)oxy-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 134573380
N-(3-cyclobutyl-2H-pyrrol-5-yl)-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 157329954
4-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-6-(4-methylpiperazin-1-yl)-2-[(3-propyl-2H-pyrrol-5-yl)methyl]pyrimidine
CID 159394436

Frequently Asked Questions

What is the IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine (CID 157351254) is 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine is CC1=Cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)nc4)c3F)cc(F)c2C1.
What is the InChIKey of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is NQOKTUJPIWPQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-14-9-16-17(10-14)21(26)19(11-18(16)25)34-24-22(27)23(29-13-30-24)31-15-3-4-20(28-12-15)33-7-5-32(2)6-8-33/h3-4,10-13H,5-9H2,1-2H3,(H,29,30,31).
What are the key properties of 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine?
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 468.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 157351254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).