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

C26H19F4N5O — CID 11526080

IUPAC4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C26H19F4N5O/c1-14-22(25(36)33-20-9-10-21-17(12-20)13-31-35-21)23(15-5-7-19(27)8-6-15)34-24(32-14)16-3-2-4-18(11-16)26(28,29)30/h2-13,23H,1H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyYLJBCUPYZFDMTD-UHFFFAOYSA-N
MW493.46 g/mol
LogP5.72
Rot. Bonds4

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

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11526080) has the molecular formula C26H19F4N5O and a molecular weight of 493.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11526080
Molecular FormulaC26H19F4N5O
Molecular Weight493.46 g/mol
Exact Mass493.15
IUPAC Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C26H19F4N5O/c1-14-22(25(36)33-20-9-10-21-17(12-20)13-31-35-21)23(15-5-7-19(27)8-6-15)34-24(32-14)16-3-2-4-18(11-16)26(28,29)30/h2-13,23H,1H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyYLJBCUPYZFDMTD-UHFFFAOYSA-N
XLogP5.72
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.46
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11496831
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
4-[2-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 67455754
4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11712973
2-(aminomethyl)-N-(1H-indazol-5-yl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 137277102
(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
4-[3-[[2,6-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-fluorophenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888933
6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 90863970
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91372536

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide (CID 11526080) is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is YLJBCUPYZFDMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O/c1-14-22(25(36)33-20-9-10-21-17(12-20)13-31-35-21)23(15-5-7-19(27)8-6-15)34-24(32-14)16-3-2-4-18(11-16)26(28,29)30/h2-13,23H,1H3,(H,31,35)(H,32,34)(H,33,36).
What are the key properties of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 493.46 g/mol, XLogP of 5.72, 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-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11526080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).