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

C24H22Cl2N4O2 — CID 89256072

IUPAC4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide
SMILESCCCn1c(-c2ccccc2)cc2cc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)ccc21
InChIInChI=1S/C24H22Cl2N4O2/c1-2-10-30-19-9-8-18(13-17(19)14-20(30)16-6-4-3-5-7-16)29(11-12-31)24(32)21-22(25)27-15-28-23(21)26/h3-9,13-15,31H,2,10-12H2,1H3
InChIKeyBCCGZCGASCFOQU-UHFFFAOYSA-N
MW469.37 g/mol
LogP5.45
Rot. Bonds7

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

4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide (PubChem CID 89256072) 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-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide
PubChem CID89256072
Molecular FormulaC24H22Cl2N4O2
Molecular Weight469.37 g/mol
Exact Mass468.11
IUPAC Name4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide
SMILESCCCn1c(-c2ccccc2)cc2cc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)ccc21
InChIInChI=1S/C24H22Cl2N4O2/c1-2-10-30-19-9-8-18(13-17(19)14-20(30)16-6-4-3-5-7-16)29(11-12-31)24(32)21-22(25)27-15-28-23(21)26/h3-9,13-15,31H,2,10-12H2,1H3
InChIKeyBCCGZCGASCFOQU-UHFFFAOYSA-N
XLogP5.45
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US9738658, Example 13
CID 86719989
US9738658, Example 22
CID 86720008
4-[[1-[(3-fluorophenyl)methyl]indol-5-yl]amino]-N-(4-hydroxybutyl)pyrimidine-5-carboxamide
CID 162624263
4,6-dichloro-N-(6-fluoro-1-phenylindol-5-yl)-N-(2-hydroxyethyl)pyrimidine-5-carboxamide
CID 89256086
4,6-dichloro-N-(2-hydroxyethyl)-N-[1-[6-(trifluoromethyl)pyridin-3-yl]indol-5-yl]pyrimidine-5-carboxamide
CID 89256093
4,6-dichloro-N-(2-hydroxyethyl)-N-[1-propyl-3-(2,2,2-trifluoroacetyl)indol-5-yl]pyrimidine-5-carboxamide
CID 89256096
N-[1-butyl-3-(2,2,2-trifluoroacetyl)indol-5-yl]-4,6-dichloro-N-(2-hydroxyethyl)pyrimidine-5-carboxamide
CID 89256185
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[1-[6-(trifluoromethyl)pyridin-3-yl]indol-5-yl]pyrimidine-5-carboxamide
CID 90005902
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-(6-fluoro-1-phenylindol-5-yl)pyrimidine-5-carboxamide
CID 90006021
4,6-dichloro-N-(3,5-dimethyl-4-(2-oxo-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)phenyl)-N-(2-hydroxyethyl)pyrimidine-5-carboxamide
CID 117923342
4,6-dichloro-N-(2-hydroxyethyl)-N-[1-[6-(trifluoromethyl)-3-pyridinyl]indol-5-yl]pyrimidine-5-carboxamide;ethane
CID 144480448
4,6-dichloro-N-(2-hydroxyethyl)-N-[1-[5-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]indol-5-yl]pyrimidine-5-carboxamide
CID 164017726

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide (CID 89256072) is 4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide is CCCn1c(-c2ccccc2)cc2cc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)ccc21.
What is the InChIKey of 4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide?
The InChIKey is BCCGZCGASCFOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2/c1-2-10-30-19-9-8-18(13-17(19)14-20(30)16-6-4-3-5-7-16)29(11-12-31)24(32)21-22(25)27-15-28-23(21)26/h3-9,13-15,31H,2,10-12H2,1H3.
What are the key properties of 4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide?
4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide has a molecular weight of 469.37 g/mol, XLogP of 5.45, 7 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-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 89256072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).