4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide

C24H22Cl2N4O2 — CID 86712617

IUPAC4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide
SMILESCC(C)c1cn(-c2ccccc2)c2ccc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)cc12
InChIInChI=1S/C24H22Cl2N4O2/c1-15(2)19-13-30(16-6-4-3-5-7-16)20-9-8-17(12-18(19)20)29(10-11-31)24(32)21-22(25)27-14-28-23(21)26/h3-9,12-15,31H,10-11H2,1-2H3
InChIKeyYMRJVIJQPSPFGF-UHFFFAOYSA-N
MW469.37 g/mol
LogP5.49
Rot. Bonds6

About 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide

4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide (PubChem CID 86712617) has the molecular formula C24H22Cl2N4O2 and a molecular weight of 469.37 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide
PubChem CID86712617
Molecular FormulaC24H22Cl2N4O2
Molecular Weight469.37 g/mol
Exact Mass468.11
IUPAC Name4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide
SMILESCC(C)c1cn(-c2ccccc2)c2ccc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)cc12
InChIInChI=1S/C24H22Cl2N4O2/c1-15(2)19-13-30(16-6-4-3-5-7-16)20-9-8-17(12-18(19)20)29(10-11-31)24(32)21-22(25)27-14-28-23(21)26/h3-9,12-15,31H,10-11H2,1-2H3
InChIKeyYMRJVIJQPSPFGF-UHFFFAOYSA-N
XLogP5.49
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide 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 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide (CID 86712617) is 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide is CC(C)c1cn(-c2ccccc2)c2ccc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)cc12.
What is the InChIKey of 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide?
The InChIKey is YMRJVIJQPSPFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2/c1-15(2)19-13-30(16-6-4-3-5-7-16)20-9-8-17(12-18(19)20)29(10-11-31)24(32)21-22(25)27-14-28-23(21)26/h3-9,12-15,31H,10-11H2,1-2H3.
What are the key properties of 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide?
4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide has a molecular weight of 469.37 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-hydroxyethyl)-N-(1-phenyl-3-propan-2-ylindol-5-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 86712617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).