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

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

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Related Compounds

6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-5-methoxy-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 122520819
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
5-(difluoromethyl)-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine
CID 122520682
N-cyclopropyl-4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;N-cyclopropyl-4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;N-cyclopropyl-4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 158359458
1-[(E)-but-2-en-2-yl]piperazine;5-(difluoromethyl)-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine;fluoromethane;5-methyl-2-methylidene-1,3-dihydropyrrole
CID 145145328
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-(difluoromethyl)-6-[(2,4-dimethyl-1H-indol-5-yl)oxy]-N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
CID 145145303
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-cyclopropyl-4-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidine-5-carboxamide
CID 122520542
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
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-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-4-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 122520629

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).