6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine

C24H25FN6O — CID 122520640

IUPAC6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3cc(Nc4ccc(N5CCN(C)CC5)cc4)ncn3)ccc2[nH]1
InChIInChI=1S/C24H25FN6O/c1-16-13-19-20(28-16)7-8-21(24(19)25)32-23-14-22(26-15-27-23)29-17-3-5-18(6-4-17)31-11-9-30(2)10-12-31/h3-8,13-15,28H,9-12H2,1-2H3,(H,26,27,29)
InChIKeyNPPJJXHECGYRKN-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.69
Rot. Bonds5

About 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine

6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine (PubChem CID 122520640) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
PubChem CID122520640
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3cc(Nc4ccc(N5CCN(C)CC5)cc4)ncn3)ccc2[nH]1
InChIInChI=1S/C24H25FN6O/c1-16-13-19-20(28-16)7-8-21(24(19)25)32-23-14-22(26-15-27-23)29-17-3-5-18(6-4-17)31-11-9-30(2)10-12-31/h3-8,13-15,28H,9-12H2,1-2H3,(H,26,27,29)
InChIKeyNPPJJXHECGYRKN-UHFFFAOYSA-N
XLogP4.69
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-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 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine (CID 122520640) is 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine is Cc1cc2c(F)c(Oc3cc(Nc4ccc(N5CCN(C)CC5)cc4)ncn3)ccc2[nH]1.
What is the InChIKey of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
The InChIKey is NPPJJXHECGYRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-16-13-19-20(28-16)7-8-21(24(19)25)32-23-14-22(26-15-27-23)29-17-3-5-18(6-4-17)31-11-9-30(2)10-12-31/h3-8,13-15,28H,9-12H2,1-2H3,(H,26,27,29).
What are the key properties of 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine?
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine has a molecular weight of 432.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 122520640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).