2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine

C23H21FN4O — CID 123697072

IUPAC2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine
SMILESCCc1cccnc1-c1cc(-c2cccc(OC)n2)nn1Cc1ccccc1F
InChIInChI=1S/C23H21FN4O/c1-3-16-9-7-13-25-23(16)21-14-20(19-11-6-12-22(26-19)29-2)27-28(21)15-17-8-4-5-10-18(17)24/h4-14H,3,15H2,1-2H3
InChIKeyCIGRFPKIDAHGTP-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.77
Rot. Bonds6

About 2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine

2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine (PubChem CID 123697072) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine
PubChem CID123697072
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine
SMILESCCc1cccnc1-c1cc(-c2cccc(OC)n2)nn1Cc1ccccc1F
InChIInChI=1S/C23H21FN4O/c1-3-16-9-7-13-25-23(16)21-14-20(19-11-6-12-22(26-19)29-2)27-28(21)15-17-8-4-5-10-18(17)24/h4-14H,3,15H2,1-2H3
InChIKeyCIGRFPKIDAHGTP-UHFFFAOYSA-N
XLogP4.77
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
4-Methoxy-2-phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11196622
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
Dihydropyrrolopyrazole, 7f
CID 21992672
6-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 11669507
2-[[4-[1-(2-(18F)fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 46893367
Jnj-42259152
CID 51353528
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline
CID 57400861
3-[1-[[4-(6-Methoxy-3-pyridinyl)phenyl]methyl]triazol-4-yl]aniline
CID 155515100
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
US10034861, Example 165
CID 132273284

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine?
The IUPAC name of 2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine (CID 123697072) is 2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine.
What is the SMILES notation for 2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine?
The canonical SMILES for 2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine is CCc1cccnc1-c1cc(-c2cccc(OC)n2)nn1Cc1ccccc1F.
What is the InChIKey of 2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine?
The InChIKey is CIGRFPKIDAHGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-3-16-9-7-13-25-23(16)21-14-20(19-11-6-12-22(26-19)29-2)27-28(21)15-17-8-4-5-10-18(17)24/h4-14H,3,15H2,1-2H3.
What are the key properties of 2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine?
2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine has a molecular weight of 388.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethyl-2-pyridinyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyridine is sourced from PubChem (CID 123697072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).