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

C26H19F4N5O — CID 11554995

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

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

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11554995) 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-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11554995
Molecular FormulaC26H19F4N5O
Molecular Weight493.46 g/mol
Exact Mass493.15
IUPAC Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C26H19F4N5O/c1-14-22(25(36)33-20-10-11-21-17(12-20)13-31-35-21)23(15-4-8-19(27)9-5-15)34-24(32-14)16-2-6-18(7-3-16)26(28,29)30/h2-13,23H,1H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyIGMLHWBGVRCIDD-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide (CID 11554995) is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is IGMLHWBGVRCIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O/c1-14-22(25(36)33-20-10-11-21-17(12-20)13-31-35-21)23(15-4-8-19(27)9-5-15)34-24(32-14)16-2-6-18(7-3-16)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-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide?
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[4-(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-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11554995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).