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

C25H18F4N6O — CID 11569498

IUPAC4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C(F)(F)F)nc2)N1
InChIInChI=1S/C25H18F4N6O/c1-13-21(24(36)33-18-7-8-19-16(10-18)12-31-35-19)22(14-2-5-17(26)6-3-14)34-23(32-13)15-4-9-20(30-11-15)25(27,28)29/h2-12,22H,1H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyVTWIDKVFGFLBGO-UHFFFAOYSA-N
MW494.45 g/mol
LogP5.12
Rot. Bonds4

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

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11569498) has the molecular formula C25H18F4N6O and a molecular weight of 494.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11569498
Molecular FormulaC25H18F4N6O
Molecular Weight494.45 g/mol
Exact Mass494.15
IUPAC Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C(F)(F)F)nc2)N1
InChIInChI=1S/C25H18F4N6O/c1-13-21(24(36)33-18-7-8-19-16(10-18)12-31-35-19)22(14-2-5-17(26)6-3-14)34-23(32-13)15-4-9-20(30-11-15)25(27,28)29/h2-12,22H,1H3,(H,31,35)(H,32,34)(H,33,36)
InChIKeyVTWIDKVFGFLBGO-UHFFFAOYSA-N
XLogP5.12
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.45
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide (CID 11569498) is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C(F)(F)F)nc2)N1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is VTWIDKVFGFLBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N6O/c1-13-21(24(36)33-18-7-8-19-16(10-18)12-31-35-19)22(14-2-5-17(26)6-3-14)34-23(32-13)15-4-9-20(30-11-15)25(27,28)29/h2-12,22H,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-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide?
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 494.45 g/mol, XLogP of 5.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11569498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).