2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide

C23H23FN6O3 — CID 135993515

IUPAC2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1=NN(c2ccc(F)cc2)C(C(N)=O)C1
InChIInChI=1S/C23H23FN6O3/c1-13(2)29(12-20-26-17-6-4-3-5-16(17)22(32)27-20)23(33)18-11-19(21(25)31)30(28-18)15-9-7-14(24)8-10-15/h3-10,13,19H,11-12H2,1-2H3,(H2,25,31)(H,26,27,32)
InChIKeyZIZPUHIATUKORV-UHFFFAOYSA-N
MW450.47 g/mol
LogP1.92
Rot. Bonds6

About 2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide

2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 135993515) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID135993515
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1=NN(c2ccc(F)cc2)C(C(N)=O)C1
InChIInChI=1S/C23H23FN6O3/c1-13(2)29(12-20-26-17-6-4-3-5-16(17)22(32)27-20)23(33)18-11-19(21(25)31)30(28-18)15-9-7-14(24)8-10-15/h3-10,13,19H,11-12H2,1-2H3,(H2,25,31)(H,26,27,32)
InChIKeyZIZPUHIATUKORV-UHFFFAOYSA-N
XLogP1.92
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137287776
1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 135962290
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137305204
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-propan-2-yloxypyridine-3-carboxamide
CID 135973705
1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide
CID 137284812
4-(methoxymethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137294556
3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962295
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 137296684

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 135993515) is 2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1=NN(c2ccc(F)cc2)C(C(N)=O)C1.
What is the InChIKey of 2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is ZIZPUHIATUKORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-13(2)29(12-20-26-17-6-4-3-5-16(17)22(32)27-20)23(33)18-11-19(21(25)31)30(28-18)15-9-7-14(24)8-10-15/h3-10,13,19H,11-12H2,1-2H3,(H2,25,31)(H,26,27,32).
What are the key properties of 2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide?
2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 450.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-N-propan-2-yl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 135993515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).