6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine

C25H27F2N7O — CID 134573367

IUPAC6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine
SMILESCCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C)nc2)CC1
InChIInChI=1S/C25H27F2N7O/c1-4-33-7-9-34(10-8-33)17-5-6-21(28-13-17)32-24-16(3)25(30-14-29-24)35-20-12-19(26)23-18(22(20)27)11-15(2)31-23/h5-6,11-14,31H,4,7-10H2,1-3H3,(H,28,29,30,32)
InChIKeyGAPYROPPBBWHIC-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.93
Rot. Bonds6

About 6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine

6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine (PubChem CID 134573367) has the molecular formula C25H27F2N7O and a molecular weight of 479.54 g/mol. Its IUPAC name is 6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine
PubChem CID134573367
Molecular FormulaC25H27F2N7O
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine
SMILESCCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C)nc2)CC1
InChIInChI=1S/C25H27F2N7O/c1-4-33-7-9-34(10-8-33)17-5-6-21(28-13-17)32-24-16(3)25(30-14-29-24)35-20-12-19(26)23-18(22(20)27)11-15(2)31-23/h5-6,11-14,31H,4,7-10H2,1-3H3,(H,28,29,30,32)
InChIKeyGAPYROPPBBWHIC-UHFFFAOYSA-N
XLogP4.93
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine (CID 134573367) is 6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine is CCN1CCN(c2ccc(Nc3ncnc(Oc4cc(F)c5[nH]c(C)cc5c4F)c3C)nc2)CC1.
What is the InChIKey of 6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine?
The InChIKey is GAPYROPPBBWHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O/c1-4-33-7-9-34(10-8-33)17-5-6-21(28-13-17)32-24-16(3)25(30-14-29-24)35-20-12-19(26)23-18(22(20)27)11-15(2)31-23/h5-6,11-14,31H,4,7-10H2,1-3H3,(H,28,29,30,32).
What are the key properties of 6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine?
6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine has a molecular weight of 479.54 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 134573367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).