5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine

C25H27F2N7O — CID 122520549

IUPAC5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3F)ccc2n1C(C)C
InChIInChI=1S/C25H27F2N7O/c1-15(2)34-16(3)12-18-19(34)5-6-20(22(18)26)35-25-23(27)24(30-14-31-25)32-21-7-4-17(13-29-21)33-10-8-28-9-11-33/h4-7,12-15,28H,8-11H2,1-3H3,(H,29,30,31,32)
InChIKeyNRTMHEBETBRWCW-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.94
Rot. Bonds6

About 5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-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 (PubChem CID 122520549) has the molecular formula C25H27F2N7O and a molecular weight of 479.54 g/mol. Its IUPAC name is 5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
PubChem CID122520549
Molecular FormulaC25H27F2N7O
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3F)ccc2n1C(C)C
InChIInChI=1S/C25H27F2N7O/c1-15(2)34-16(3)12-18-19(34)5-6-20(22(18)26)35-25-23(27)24(30-14-31-25)32-21-7-4-17(13-29-21)33-10-8-28-9-11-33/h4-7,12-15,28H,8-11H2,1-3H3,(H,29,30,31,32)
InChIKeyNRTMHEBETBRWCW-UHFFFAOYSA-N
XLogP4.94
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 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 122520549) is 5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine is Cc1cc2c(F)c(Oc3ncnc(Nc4ccc(N5CCNCC5)cn4)c3F)ccc2n1C(C)C.
What is the InChIKey of 5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is NRTMHEBETBRWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O/c1-15(2)34-16(3)12-18-19(34)5-6-20(22(18)26)35-25-23(27)24(30-14-31-25)32-21-7-4-17(13-29-21)33-10-8-28-9-11-33/h4-7,12-15,28H,8-11H2,1-3H3,(H,29,30,31,32).
What are the key properties of 5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-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 has a molecular weight of 479.54 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-5-yl)oxy-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 122520549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).