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

C26H22FN5O — CID 25093238

IUPAC4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C)cc2)N1
InChIInChI=1S/C26H22FN5O/c1-15-3-5-18(6-4-15)25-29-16(2)23(24(31-25)17-7-9-20(27)10-8-17)26(33)30-21-11-12-22-19(13-21)14-28-32-22/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeySQTRIOMOPSFYQU-UHFFFAOYSA-N
MW439.49 g/mol
LogP5.01
Rot. Bonds4

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

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 25093238) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide
PubChem CID25093238
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C)cc2)N1
InChIInChI=1S/C26H22FN5O/c1-15-3-5-18(6-4-15)25-29-16(2)23(24(31-25)17-7-9-20(27)10-8-17)26(33)30-21-11-12-22-19(13-21)14-28-32-22/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33)
InChIKeySQTRIOMOPSFYQU-UHFFFAOYSA-N
XLogP5.01
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.49
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11548023
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide (CID 25093238) is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C)cc2)N1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is SQTRIOMOPSFYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O/c1-15-3-5-18(6-4-15)25-29-16(2)23(24(31-25)17-7-9-20(27)10-8-17)26(33)30-21-11-12-22-19(13-21)14-28-32-22/h3-14,24H,1-2H3,(H,28,32)(H,29,31)(H,30,33).
What are the key properties of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide?
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 5.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 25093238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).