2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

C24H26FN5O3S — CID 135333132

IUPAC2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2nc(CC(C)C)c(C(=O)O)s2)ncn1
InChIInChI=1S/C24H26FN5O3S/c1-13(2)9-17-22(24(31)32)34-23(29-17)18-11-20(28-12-27-18)26-7-8-30-14(3)10-15-19(33-4)6-5-16(25)21(15)30/h5-6,10-13H,7-9H2,1-4H3,(H,31,32)(H,26,27,28)
InChIKeyOPIJOIGTZRVUHM-UHFFFAOYSA-N
MW483.57 g/mol
LogP5.02
Rot. Bonds9

About 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 135333132) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
PubChem CID135333132
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2nc(CC(C)C)c(C(=O)O)s2)ncn1
InChIInChI=1S/C24H26FN5O3S/c1-13(2)9-17-22(24(31)32)34-23(29-17)18-11-20(28-12-27-18)26-7-8-30-14(3)10-15-19(33-4)6-5-16(25)21(15)30/h5-6,10-13H,7-9H2,1-4H3,(H,31,32)(H,26,27,28)
InChIKeyOPIJOIGTZRVUHM-UHFFFAOYSA-N
XLogP5.02
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid 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 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (CID 135333132) is 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is COc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2nc(CC(C)C)c(C(=O)O)s2)ncn1.
What is the InChIKey of 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OPIJOIGTZRVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-13(2)9-17-22(24(31)32)34-23(29-17)18-11-20(28-12-27-18)26-7-8-30-14(3)10-15-19(33-4)6-5-16(25)21(15)30/h5-6,10-13H,7-9H2,1-4H3,(H,31,32)(H,26,27,28).
What are the key properties of 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 483.57 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 135333132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).