N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide

C22H19FN6O2 — CID 92602574

IUPACN-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)cn1
InChIInChI=1S/C22H19FN6O2/c1-31-22-26-13-17(14-27-22)21(30)25-9-10-29-20(16-3-2-8-24-12-16)11-19(28-29)15-4-6-18(23)7-5-15/h2-8,11-14H,9-10H2,1H3,(H,25,30)
InChIKeyUSTWKSSESVEVIU-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.98
Rot. Bonds7

About N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide

N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide (PubChem CID 92602574) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
PubChem CID92602574
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC NameN-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)cn1
InChIInChI=1S/C22H19FN6O2/c1-31-22-26-13-17(14-27-22)21(30)25-9-10-29-20(16-3-2-8-24-12-16)11-19(28-29)15-4-6-18(23)7-5-15/h2-8,11-14H,9-10H2,1H3,(H,25,30)
InChIKeyUSTWKSSESVEVIU-UHFFFAOYSA-N
XLogP2.98
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 92601561
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 92581052
(3R)-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 92570815
2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide
CID 110217969
(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide
CID 92582699
N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide
CID 92596753
trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 92583705
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethoxybenzamide
CID 90516111
N-[2-[3-(4-fluorophenyl)-5-(5-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 92559229
2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92572526
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide
CID 41241044

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide (CID 92602574) is N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide is COc1ncc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)cn1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide?
The InChIKey is USTWKSSESVEVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-31-22-26-13-17(14-27-22)21(30)25-9-10-29-20(16-3-2-8-24-12-16)11-19(28-29)15-4-6-18(23)7-5-15/h2-8,11-14H,9-10H2,1H3,(H,25,30).
What are the key properties of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide?
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 92602574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).