1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide

C27H23FN6O — CID 26354146

IUPAC1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)N(C)Cc3cccc4ncccc34)c2C)nc1-c1ccc(F)cc1
InChIInChI=1S/C27H23FN6O/c1-17-14-30-27(32-25(17)19-9-11-21(28)12-10-19)34-18(2)23(15-31-34)26(35)33(3)16-20-6-4-8-24-22(20)7-5-13-29-24/h4-15H,16H2,1-3H3
InChIKeyROLNARHPMWCZMA-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.91
Rot. Bonds5

About 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide

1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide (PubChem CID 26354146) has the molecular formula C27H23FN6O and a molecular weight of 466.52 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
PubChem CID26354146
Molecular FormulaC27H23FN6O
Molecular Weight466.52 g/mol
Exact Mass466.19
IUPAC Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)N(C)Cc3cccc4ncccc34)c2C)nc1-c1ccc(F)cc1
InChIInChI=1S/C27H23FN6O/c1-17-14-30-27(32-25(17)19-9-11-21(28)12-10-19)34-18(2)23(15-31-34)26(35)33(3)16-20-6-4-8-24-22(20)7-5-13-29-24/h4-15H,16H2,1-3H3
InChIKeyROLNARHPMWCZMA-UHFFFAOYSA-N
XLogP4.91
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
CID 45166835
5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 56905197
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 42324218
5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
CID 42375927
N-ethyl-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-thiophen-2-ylpyrazole-4-carboxamide
CID 26352902
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 97188254
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide
CID 46413058
N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393
6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46964855
N-(2,2-dimethyloxan-4-yl)-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 45187802
N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42238978
N-methyl-6-(4-methylpiperazin-1-yl)-N-(quinolin-5-ylmethyl)pyridine-2-carboxamide
CID 166244775

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide (CID 26354146) is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)N(C)Cc3cccc4ncccc34)c2C)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is ROLNARHPMWCZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O/c1-17-14-30-27(32-25(17)19-9-11-21(28)12-10-19)34-18(2)23(15-31-34)26(35)33(3)16-20-6-4-8-24-22(20)7-5-13-29-24/h4-15H,16H2,1-3H3.
What are the key properties of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide?
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 26354146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).