1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone

C25H25F2N7O2 — CID 134573342

IUPAC1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone
SMILESCC(=O)n1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3F)ccc21
InChIInChI=1S/C25H25F2N7O2/c1-15-12-18-19(34(15)16(2)35)5-6-20(22(18)26)36-25-23(27)24(29-14-30-25)31-21-7-4-17(13-28-21)33-10-8-32(3)9-11-33/h4-7,12-14H,8-11H2,1-3H3,(H,28,29,30,31)
InChIKeyFBPIQULDAJPQND-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.36
Rot. Bonds5

About 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone

1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone (PubChem CID 134573342) has the molecular formula C25H25F2N7O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone
PubChem CID134573342
Molecular FormulaC25H25F2N7O2
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC Name1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone
SMILESCC(=O)n1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3F)ccc21
InChIInChI=1S/C25H25F2N7O2/c1-15-12-18-19(34(15)16(2)35)5-6-20(22(18)26)36-25-23(27)24(29-14-30-25)31-21-7-4-17(13-28-21)33-10-8-32(3)9-11-33/h4-7,12-14H,8-11H2,1-3H3,(H,28,29,30,31)
InChIKeyFBPIQULDAJPQND-UHFFFAOYSA-N
XLogP4.36
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]methanone;cyclopropyl-[4-fluoro-5-[5-fluoro-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]methanone;1-[4-fluoro-5-[5-fluoro-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]propan-1-one
CID 160901553
4-(1-acetyl-4-fluoro-2-methylindol-5-yl)oxy-6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carbonitrile
CID 122520868
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
6-(1-ethyl-4-fluoro-2-methylindol-5-yl)oxy-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoropyrimidin-4-amine
CID 134573335
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxypyrimidin-4-amine;5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
CID 158549998
cyclopropyl-[4-fluoro-5-[5-isocyano-6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]methanone
CID 140890835
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 122520888
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 122520629
[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 134573348
azetidin-1-yl-[4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-5-yl]methanone
CID 158095408
4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxypyrimidine-5-carbonitrile
CID 134576032
5-bromo-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 138613864

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone?
The IUPAC name of 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone (CID 134573342) is 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone.
What is the SMILES notation for 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone?
The canonical SMILES for 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone is CC(=O)n1c(C)cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCN(C)CC5)cn4)c3F)ccc21.
What is the InChIKey of 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone?
The InChIKey is FBPIQULDAJPQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2/c1-15-12-18-19(34(15)16(2)35)5-6-20(22(18)26)36-25-23(27)24(29-14-30-25)31-21-7-4-17(13-28-21)33-10-8-32(3)9-11-33/h4-7,12-14H,8-11H2,1-3H3,(H,28,29,30,31).
What are the key properties of 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone?
1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone has a molecular weight of 493.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-5-[5-fluoro-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]oxy-2-methylindol-1-yl]ethanone is sourced from PubChem (CID 134573342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).