N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide

C27H22F3N5O — CID 11496831

IUPACN-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)N=C(c2cccc(C)c2)N1
InChIInChI=1S/C27H22F3N5O/c1-15-4-3-5-18(12-15)25-32-16(2)23(24(34-25)17-6-8-20(9-7-17)27(28,29)30)26(36)33-21-10-11-22-19(13-21)14-31-35-22/h3-14,24H,1-2H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyJZZUVOYQBJUEMB-UHFFFAOYSA-N
MW489.50 g/mol
LogP5.89
Rot. Bonds4

About N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide

N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11496831) has the molecular formula C27H22F3N5O and a molecular weight of 489.50 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11496831
Molecular FormulaC27H22F3N5O
Molecular Weight489.50 g/mol
Exact Mass489.18
IUPAC NameN-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)N=C(c2cccc(C)c2)N1
InChIInChI=1S/C27H22F3N5O/c1-15-4-3-5-18(12-15)25-32-16(2)23(24(34-25)17-6-8-20(9-7-17)27(28,29)30)26(36)33-21-10-11-22-19(13-21)14-31-35-22/h3-14,24H,1-2H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyJZZUVOYQBJUEMB-UHFFFAOYSA-N
XLogP5.89
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.50
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11526080
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11584633
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11671454
N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 59729080
N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide
CID 11510682
(7S)-2-(hydroxymethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 137277134
2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 137277102
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91372536
4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 67455754
N-(1H-indazol-5-yl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 55523782
4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11712973
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide (CID 11496831) is N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)N=C(c2cccc(C)c2)N1.
What is the InChIKey of N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is JZZUVOYQBJUEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O/c1-15-4-3-5-18(12-15)25-32-16(2)23(24(34-25)17-6-8-20(9-7-17)27(28,29)30)26(36)33-21-10-11-22-19(13-21)14-31-35-22/h3-14,24H,1-2H3,(H,31,35)(H,32,34)(H,33,36).
What are the key properties of N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 5.89, 4 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-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11496831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).