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

C26H28F2N6 — CID 129202823

IUPAC5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCC1=Nc2c(F)cc(-c3nc(Nc4ccc(C5CCN(C)CC5)cn4)ncc3F)cc2C1(C)C
InChIInChI=1S/C26H28F2N6/c1-15-26(2,3)19-11-18(12-20(27)24(19)31-15)23-21(28)14-30-25(33-23)32-22-6-5-17(13-29-22)16-7-9-34(4)10-8-16/h5-6,11-14,16H,7-10H2,1-4H3,(H,29,30,32,33)
InChIKeyGJYFUNGTPLHRJF-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.75
Rot. Bonds4

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

5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 129202823) has the molecular formula C26H28F2N6 and a molecular weight of 462.55 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID129202823
Molecular FormulaC26H28F2N6
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCC1=Nc2c(F)cc(-c3nc(Nc4ccc(C5CCN(C)CC5)cn4)ncc3F)cc2C1(C)C
InChIInChI=1S/C26H28F2N6/c1-15-26(2,3)19-11-18(12-20(27)24(19)31-15)23-21(28)14-30-25(33-23)32-22-6-5-17(13-29-22)16-7-9-34(4)10-8-16/h5-6,11-14,16H,7-10H2,1-4H3,(H,29,30,32,33)
InChIKeyGJYFUNGTPLHRJF-UHFFFAOYSA-N
XLogP5.75
TPSA66.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine (CID 129202823) is 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-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-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine is CC1=Nc2c(F)cc(-c3nc(Nc4ccc(C5CCN(C)CC5)cn4)ncc3F)cc2C1(C)C.
What is the InChIKey of 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is GJYFUNGTPLHRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6/c1-15-26(2,3)19-11-18(12-20(27)24(19)31-15)23-21(28)14-30-25(33-23)32-22-6-5-17(13-29-22)16-7-9-34(4)10-8-16/h5-6,11-14,16H,7-10H2,1-4H3,(H,29,30,32,33).
What are the key properties of 5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine?
5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 462.55 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 129202823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).