N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide

C28H27N5O — CID 11510682

IUPACN-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(CCc2ccccc2)N=C(c2cccc(C)c2)N1
InChIInChI=1S/C28H27N5O/c1-18-7-6-10-21(15-18)27-30-19(2)26(25(32-27)13-11-20-8-4-3-5-9-20)28(34)31-23-12-14-24-22(16-23)17-29-33-24/h3-10,12,14-17,25H,11,13H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyUGYLJCMOMXECEH-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.14
Rot. Bonds6

About N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide

N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11510682) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11510682
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC NameN-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(CCc2ccccc2)N=C(c2cccc(C)c2)N1
InChIInChI=1S/C28H27N5O/c1-18-7-6-10-21(15-18)27-30-19(2)26(25(32-27)13-11-20-8-4-3-5-9-20)28(34)31-23-12-14-24-22(16-23)17-29-33-24/h3-10,12,14-17,25H,11,13H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyUGYLJCMOMXECEH-UHFFFAOYSA-N
XLogP5.14
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-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

Related Compounds

4-(4-(trifluoromethyl)phenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide
CID 11373846
Dihydropyridone indazole amide 10
CID 11189172
Gsk180736A
CID 11233873
Rho-Kinase-IN-3
CID 11269477
4-(4-fluorophenyl)-N-1H-indazol-5-yl-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide
CID 11360518
Dihydropyrimidine, 14
CID 11526080
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531981
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531982
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(6-(trifluoromethyl)pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11569498
2-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11590642
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide
CID 11597345
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyrazin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11604313

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide (CID 11510682) is N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(CCc2ccccc2)N=C(c2cccc(C)c2)N1.
What is the InChIKey of N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is UGYLJCMOMXECEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-18-7-6-10-21(15-18)27-30-19(2)26(25(32-27)13-11-20-8-4-3-5-9-20)28(34)31-23-12-14-24-22(16-23)17-29-33-24/h3-10,12,14-17,25H,11,13H2,1-2H3,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide?
N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11510682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).