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

C21H21N5O2 — CID 11545280

IUPACN-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(C)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1
InChIInChI=1S/C21H21N5O2/c1-12-19(21(27)25-16-6-9-18-15(10-16)11-22-26-18)13(2)24-20(23-12)14-4-7-17(28-3)8-5-14/h4-12H,1-3H3,(H,22,26)(H,23,24)(H,25,27)
InChIKeyZOLMUBFKFYQRGY-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.22
Rot. Bonds4

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

N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11545280) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11545280
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1ccc(C2=NC(C)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1
InChIInChI=1S/C21H21N5O2/c1-12-19(21(27)25-16-6-9-18-15(10-16)11-22-26-18)13(2)24-20(23-12)14-4-7-17(28-3)8-5-14/h4-12H,1-3H3,(H,22,26)(H,23,24)(H,25,27)
InChIKeyZOLMUBFKFYQRGY-UHFFFAOYSA-N
XLogP3.22
TPSA91.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Fluorophenyl)-N-1H-indazol-5-yl-6-methyl-2-[4-(methyloxy)phenyl]-1,4-dihydro-5-pyrimidinecarboxamide
CID 11590594
N-(1H-indazol-5-yl)-4-(4-methanesulfonylphenyl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11605996
N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-(4-sulfamoylphenyl)-1,4-dihydropyrimidine-5-carboxamide
CID 11620539
4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11641672
Dihydropyrimidine, 20
CID 25093240
N-1H-Indazol-5-yl-4-methoxybenzamide
CID 3348038
4-ethoxy-N-(1H-indazol-5-yl)benzamide
CID 6464232
N-(1H-indazol-5-yl)-3-methoxybenzamide
CID 6465251
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 70691934
4-[4-fluoro-3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888943
3-amino-N-[3-[(4-methoxyphenyl)methylamino]-1H-indazol-5-yl]cyclohexane-1-carboxamide
CID 145959412

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide (CID 11545280) is N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide is COc1ccc(C2=NC(C)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is ZOLMUBFKFYQRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-12-19(21(27)25-16-6-9-18-15(10-16)11-22-26-18)13(2)24-20(23-12)14-4-7-17(28-3)8-5-14/h4-12H,1-3H3,(H,22,26)(H,23,24)(H,25,27).
What are the key properties of N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide?
N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.22, 4 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)-4,6-dimethyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11545280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).