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

C23H25N7O3 — CID 162379298

IUPAC2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CCOCC2)[nH]n1-c1cc(N2CCOCC2)n2nc(-c3ccncc3)cc2n1
InChIInChI=1S/C23H25N7O3/c31-23-14-19(17-3-9-32-10-4-17)27-30(23)21-15-22(28-7-11-33-12-8-28)29-20(25-21)13-18(26-29)16-1-5-24-6-2-16/h1-2,5-6,13-15,17,27H,3-4,7-12H2
InChIKeyWOUAGCZXXFVRBT-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.00
Rot. Bonds4

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

2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one (PubChem CID 162379298) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one
PubChem CID162379298
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one
SMILESO=c1cc(C2CCOCC2)[nH]n1-c1cc(N2CCOCC2)n2nc(-c3ccncc3)cc2n1
InChIInChI=1S/C23H25N7O3/c31-23-14-19(17-3-9-32-10-4-17)27-30(23)21-15-22(28-7-11-33-12-8-28)29-20(25-21)13-18(26-29)16-1-5-24-6-2-16/h1-2,5-6,13-15,17,27H,3-4,7-12H2
InChIKeyWOUAGCZXXFVRBT-UHFFFAOYSA-N
XLogP2.00
TPSA102.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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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-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one
CID 168921735
tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate
CID 168921768
tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 168922087
4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168921732
4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166663470
4-[5-(1-phenylpyrazol-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266677
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-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168922123
5-[3-(4-fluorophenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 174167117
4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266558
5-[3-(4-methylphenyl)pyrazol-1-yl]-7-piperidin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 174167126

Frequently Asked Questions

What is the IUPAC name of 2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 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) is 2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one is O=c1cc(C2CCOCC2)[nH]n1-c1cc(N2CCOCC2)n2nc(-c3ccncc3)cc2n1.
What is the InChIKey of 2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one?
The InChIKey is WOUAGCZXXFVRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c31-23-14-19(17-3-9-32-10-4-17)27-30(23)21-15-22(28-7-11-33-12-8-28)29-20(25-21)13-18(26-29)16-1-5-24-6-2-16/h1-2,5-6,13-15,17,27H,3-4,7-12H2.
What are the key properties of 2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one?
2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one has a molecular weight of 447.50 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 162379298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).