5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine

C25H27FN8 — CID 166634214

IUPAC5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine
SMILESCC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nccnc5c4)n3)nc2)CC1
InChIInChI=1S/C25H27FN8/c1-17(2)34-11-9-33(10-12-34)16-18-3-6-23(29-14-18)31-25-30-15-20(26)24(32-25)19-4-5-21-22(13-19)28-8-7-27-21/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,29,30,31,32)
InChIKeyMQCKGICMPDECTO-UHFFFAOYSA-N
MW458.55 g/mol
LogP3.89
Rot. Bonds6

About 5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine

5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine (PubChem CID 166634214) has the molecular formula C25H27FN8 and a molecular weight of 458.55 g/mol. Its IUPAC name is 5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine
PubChem CID166634214
Molecular FormulaC25H27FN8
Molecular Weight458.55 g/mol
Exact Mass458.23
IUPAC Name5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine
SMILESCC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nccnc5c4)n3)nc2)CC1
InChIInChI=1S/C25H27FN8/c1-17(2)34-11-9-33(10-12-34)16-18-3-6-23(29-14-18)31-25-30-15-20(26)24(32-25)19-4-5-21-22(13-19)28-8-7-27-21/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,29,30,31,32)
InChIKeyMQCKGICMPDECTO-UHFFFAOYSA-N
XLogP3.89
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-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-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine (CID 166634214) is 5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine is CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(-c4ccc5nccnc5c4)n3)nc2)CC1.
What is the InChIKey of 5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine?
The InChIKey is MQCKGICMPDECTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8/c1-17(2)34-11-9-33(10-12-34)16-18-3-6-23(29-14-18)31-25-30-15-20(26)24(32-25)19-4-5-21-22(13-19)28-8-7-27-21/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,29,30,31,32).
What are the key properties of 5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine?
5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine has a molecular weight of 458.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]-4-quinoxalin-6-ylpyrimidin-2-amine is sourced from PubChem (CID 166634214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).