5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine

C24H25F2N7 — CID 129202755

IUPAC5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCC1=Nc2c(F)cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2C1(C)C
InChIInChI=1S/C24H25F2N7/c1-14-24(2,3)17-10-15(11-18(25)22(17)30-14)21-19(26)13-29-23(32-21)31-20-5-4-16(12-28-20)33-8-6-27-7-9-33/h4-5,10-13,27H,6-9H2,1-3H3,(H,28,29,31,32)
InChIKeyGBYGWVVFPYTZJX-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.35
Rot. Bonds4

About 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine

5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 129202755) has the molecular formula C24H25F2N7 and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
PubChem CID129202755
Molecular FormulaC24H25F2N7
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCC1=Nc2c(F)cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2C1(C)C
InChIInChI=1S/C24H25F2N7/c1-14-24(2,3)17-10-15(11-18(25)22(17)30-14)21-19(26)13-29-23(32-21)31-20-5-4-16(12-28-20)33-8-6-27-7-9-33/h4-5,10-13,27H,6-9H2,1-3H3,(H,28,29,31,32)
InChIKeyGBYGWVVFPYTZJX-UHFFFAOYSA-N
XLogP4.35
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine (CID 129202755) is 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine is CC1=Nc2c(F)cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2C1(C)C.
What is the InChIKey of 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is GBYGWVVFPYTZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7/c1-14-24(2,3)17-10-15(11-18(25)22(17)30-14)21-19(26)13-29-23(32-21)31-20-5-4-16(12-28-20)33-8-6-27-7-9-33/h4-5,10-13,27H,6-9H2,1-3H3,(H,28,29,31,32).
What are the key properties of 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 449.51 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 129202755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).