2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one

C24H20FN7O2 — CID 168921744

IUPAC2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one
SMILESO=c1cc(-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)[nH]n1-c1cccc(F)c1
InChIInChI=1S/C24H20FN7O2/c25-17-2-1-3-18(12-17)31-24(33)15-21(29-31)20-14-23(30-8-10-34-11-9-30)32-22(27-20)13-19(28-32)16-4-6-26-7-5-16/h1-7,12-15,29H,8-11H2
InChIKeyKMCQDVVSRXXOIR-UHFFFAOYSA-N
MW457.47 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one

2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one (PubChem CID 168921744) has the molecular formula C24H20FN7O2 and a molecular weight of 457.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one
PubChem CID168921744
Molecular FormulaC24H20FN7O2
Molecular Weight457.47 g/mol
Exact Mass457.17
IUPAC Name2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one
SMILESO=c1cc(-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)[nH]n1-c1cccc(F)c1
InChIInChI=1S/C24H20FN7O2/c25-17-2-1-3-18(12-17)31-24(33)15-21(29-31)20-14-23(30-8-10-34-11-9-30)32-22(27-20)13-19(28-32)16-4-6-26-7-5-16/h1-7,12-15,29H,8-11H2
InChIKeyKMCQDVVSRXXOIR-UHFFFAOYSA-N
XLogP2.91
TPSA93.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168922123
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
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
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-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1441427
4-(5-chloro-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 86659733
6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333484

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one?
The IUPAC name of 2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one (CID 168921744) is 2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one is O=c1cc(-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)[nH]n1-c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one?
The InChIKey is KMCQDVVSRXXOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2/c25-17-2-1-3-18(12-17)31-24(33)15-21(29-31)20-14-23(30-8-10-34-11-9-30)32-22(27-20)13-19(28-32)16-4-6-26-7-5-16/h1-7,12-15,29H,8-11H2.
What are the key properties of 2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one?
2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one has a molecular weight of 457.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 168921744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).