2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

C26H23FN6O3 — CID 168986679

IUPAC2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCC(c1nc(C(=O)Nc2ccccc2F)c(O)c(=O)n1C)C(c1cnn(C)c1)c1ccccc1C#N
InChIInChI=1S/C26H23FN6O3/c1-15(21(17-13-29-32(2)14-17)18-9-5-4-8-16(18)12-28)24-31-22(23(34)26(36)33(24)3)25(35)30-20-11-7-6-10-19(20)27/h4-11,13-15,21,34H,1-3H3,(H,30,35)
InChIKeyIJCFJTNPXGWSKV-UHFFFAOYSA-N
MW486.51 g/mol
LogP3.42
Rot. Bonds6

About 2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 168986679) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is 2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID168986679
Molecular FormulaC26H23FN6O3
Molecular Weight486.51 g/mol
Exact Mass486.18
IUPAC Name2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCC(c1nc(C(=O)Nc2ccccc2F)c(O)c(=O)n1C)C(c1cnn(C)c1)c1ccccc1C#N
InChIInChI=1S/C26H23FN6O3/c1-15(21(17-13-29-32(2)14-17)18-9-5-4-8-16(18)12-28)24-31-22(23(34)26(36)33(24)3)25(35)30-20-11-7-6-10-19(20)27/h4-11,13-15,21,34H,1-3H3,(H,30,35)
InChIKeyIJCFJTNPXGWSKV-UHFFFAOYSA-N
XLogP3.42
TPSA125.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (CID 168986679) is 2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is CC(c1nc(C(=O)Nc2ccccc2F)c(O)c(=O)n1C)C(c1cnn(C)c1)c1ccccc1C#N.
What is the InChIKey of 2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is IJCFJTNPXGWSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-15(21(17-13-29-32(2)14-17)18-9-5-4-8-16(18)12-28)24-31-22(23(34)26(36)33(24)3)25(35)30-20-11-7-6-10-19(20)27/h4-11,13-15,21,34H,1-3H3,(H,30,35).
What are the key properties of 2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 486.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-N-(2-fluorophenyl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 168986679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).