4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C25H20FN7O — CID 168922123

IUPAC4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFc1cccc(-c2nccc(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1
InChIInChI=1S/C25H20FN7O/c26-19-3-1-2-18(14-19)25-28-9-6-20(30-25)22-16-24(32-10-12-34-13-11-32)33-23(29-22)15-21(31-33)17-4-7-27-8-5-17/h1-9,14-16H,10-13H2
InChIKeyUPAIJCUYMVECCU-UHFFFAOYSA-N
MW453.48 g/mol
LogP3.89
Rot. Bonds4

About 4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 168922123) has the molecular formula C25H20FN7O and a molecular weight of 453.48 g/mol. Its IUPAC name is 4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID168922123
Molecular FormulaC25H20FN7O
Molecular Weight453.48 g/mol
Exact Mass453.17
IUPAC Name4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESFc1cccc(-c2nccc(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1
InChIInChI=1S/C25H20FN7O/c26-19-3-1-2-18(14-19)25-28-9-6-20(30-25)22-16-24(32-10-12-34-13-11-32)33-23(29-22)15-21(31-33)17-4-7-27-8-5-17/h1-9,14-16H,10-13H2
InChIKeyUPAIJCUYMVECCU-UHFFFAOYSA-N
XLogP3.89
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one
CID 168921744
4-[5-(1-phenylpyrazol-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266677
4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266558
1-methyl-2-(4-morpholin-4-yl-7-pyridin-4-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl)hydrazine
CID 167204673
4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921732
2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one
CID 162379298
[2-(3-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]hydrazine
CID 70867227
4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one
CID 168921735
1-benzothiophen-2-ylmethyl-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123640264
5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 174167117
4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 86659733
2-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56678801

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 168922123) is 4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Fc1cccc(-c2nccc(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)n2)c1.
What is the InChIKey of 4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is UPAIJCUYMVECCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O/c26-19-3-1-2-18(14-19)25-28-9-6-20(30-25)22-16-24(32-10-12-34-13-11-32)33-23(29-22)15-21(31-33)17-4-7-27-8-5-17/h1-9,14-16H,10-13H2.
What are the key properties of 4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 453.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168922123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).