N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide

C26H23N5O2 — CID 59729080

IUPACN-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(c3ccccc3)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1
InChIInChI=1S/C26H23N5O2/c1-16-23(26(32)29-20-10-13-22-19(14-20)15-27-31-22)24(17-6-4-3-5-7-17)30-25(28-16)18-8-11-21(33-2)12-9-18/h3-15,24H,1-2H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyKJOFKXJCHWAKEG-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.58
Rot. Bonds5

About N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide

N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 59729080) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID59729080
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(c3ccccc3)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1
InChIInChI=1S/C26H23N5O2/c1-16-23(26(32)29-20-10-13-22-19(14-20)15-27-31-22)24(17-6-4-3-5-7-17)30-25(28-16)18-8-11-21(33-2)12-9-18/h3-15,24H,1-2H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyKJOFKXJCHWAKEG-UHFFFAOYSA-N
XLogP4.58
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11584633
N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11496831
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11526080
N-(1H-indazol-5-yl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11773316
N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide
CID 11510682
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11671454
anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide
CID 142520969
4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11526248
4-[3-(2-hydroxyethoxy)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11384244
4-(3-hydroxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11739987
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11749186
4-(3-chlorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11280490

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide (CID 59729080) is N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide is COc1ccc(C2=NC(c3ccccc3)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is KJOFKXJCHWAKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-16-23(26(32)29-20-10-13-22-19(14-20)15-27-31-22)24(17-6-4-3-5-7-17)30-25(28-16)18-8-11-21(33-2)12-9-18/h3-15,24H,1-2H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide?
N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 59729080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).