[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C25H22ClFN4O2 — CID 42877639

IUPAC[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3F)nc3cc(-c4ccc(Cl)cc4)nn23)CC(C)O1
InChIInChI=1S/C25H22ClFN4O2/c1-15-13-30(14-16(2)33-15)25(32)23-11-22(19-5-3-4-6-20(19)27)28-24-12-21(29-31(23)24)17-7-9-18(26)10-8-17/h3-12,15-16H,13-14H2,1-2H3
InChIKeyYXTSRSXMYKFVKM-UHFFFAOYSA-N
MW464.93 g/mol
LogP5.11
Rot. Bonds3

About [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 42877639) has the molecular formula C25H22ClFN4O2 and a molecular weight of 464.93 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID42877639
Molecular FormulaC25H22ClFN4O2
Molecular Weight464.93 g/mol
Exact Mass464.14
IUPAC Name[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3F)nc3cc(-c4ccc(Cl)cc4)nn23)CC(C)O1
InChIInChI=1S/C25H22ClFN4O2/c1-15-13-30(14-16(2)33-15)25(32)23-11-22(19-5-3-4-6-20(19)27)28-24-12-21(29-31(23)24)17-7-9-18(26)10-8-17/h3-12,15-16H,13-14H2,1-2H3
InChIKeyYXTSRSXMYKFVKM-UHFFFAOYSA-N
XLogP5.11
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.93
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877611
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732
[2-(4-chlorophenyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 46170557
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 42758584
[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42877208
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]methanone
CID 7283089
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]methanone
CID 7283540
ethyl (3S)-1-[5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl]piperidine-3-carboxylate
CID 93009059
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 42755284
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759699
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3953620

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 42877639) is [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3ccccc3F)nc3cc(-c4ccc(Cl)cc4)nn23)CC(C)O1.
What is the InChIKey of [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is YXTSRSXMYKFVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O2/c1-15-13-30(14-16(2)33-15)25(32)23-11-22(19-5-3-4-6-20(19)27)28-24-12-21(29-31(23)24)17-7-9-18(26)10-8-17/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 464.93 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 42877639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).