[2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone

C25H24FN5O2 — CID 127251578

IUPAC[2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
SMILESCc1cc(Cc2ccccc2F)cc(C2CN(C(=O)c3cc(C)nc4ccnn34)CCO2)n1
InChIInChI=1S/C25H24FN5O2/c1-16-11-18(13-19-5-3-4-6-20(19)26)14-21(28-16)23-15-30(9-10-33-23)25(32)22-12-17(2)29-24-7-8-27-31(22)24/h3-8,11-12,14,23H,9-10,13,15H2,1-2H3
InChIKeyKWCGOVAZKGOQJB-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.68
Rot. Bonds4

About [2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone

[2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone (PubChem CID 127251578) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is [2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name[2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
PubChem CID127251578
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name[2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
SMILESCc1cc(Cc2ccccc2F)cc(C2CN(C(=O)c3cc(C)nc4ccnn34)CCO2)n1
InChIInChI=1S/C25H24FN5O2/c1-16-11-18(13-19-5-3-4-6-20(19)26)14-21(28-16)23-15-30(9-10-33-23)25(32)22-12-17(2)29-24-7-8-27-31(22)24/h3-8,11-12,14,23H,9-10,13,15H2,1-2H3
InChIKeyKWCGOVAZKGOQJB-UHFFFAOYSA-N
XLogP3.68
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
CID 127251579
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 125020266
1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124950641
[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127251451
1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125007770
2-(4-fluorophenyl)-1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]ethanone
CID 129454540
(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125015560
[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124985047
[(2R)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124985046
1-[2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 127251546
[(2S)-2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]-pyridin-3-ylmethanone
CID 125015825
1-[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 125017373

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
The IUPAC name of [2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone (CID 127251578) is [2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone.
What is the SMILES notation for [2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
The canonical SMILES for [2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone is Cc1cc(Cc2ccccc2F)cc(C2CN(C(=O)c3cc(C)nc4ccnn34)CCO2)n1.
What is the InChIKey of [2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
The InChIKey is KWCGOVAZKGOQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-16-11-18(13-19-5-3-4-6-20(19)26)14-21(28-16)23-15-30(9-10-33-23)25(32)22-12-17(2)29-24-7-8-27-31(22)24/h3-8,11-12,14,23H,9-10,13,15H2,1-2H3.
What are the key properties of [2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
[2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone has a molecular weight of 445.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone is sourced from PubChem (CID 127251578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).