4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one

C26H27N7O2 — CID 168921735

IUPAC4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one
SMILESCN1CCN(c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)C(=O)C1c1ccccc1
InChIInChI=1S/C26H27N7O2/c1-30-11-12-32(26(34)25(30)20-5-3-2-4-6-20)22-18-24(31-13-15-35-16-14-31)33-23(28-22)17-21(29-33)19-7-9-27-10-8-19/h2-10,17-18,25H,11-16H2,1H3
InChIKeyNLAVZVVGSJSESV-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.65
Rot. Bonds4

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

4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one (PubChem CID 168921735) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one
PubChem CID168921735
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one
SMILESCN1CCN(c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)C(=O)C1c1ccccc1
InChIInChI=1S/C26H27N7O2/c1-30-11-12-32(26(34)25(30)20-5-3-2-4-6-20)22-18-24(31-13-15-35-16-14-31)33-23(28-22)17-21(29-33)19-7-9-27-10-8-19/h2-10,17-18,25H,11-16H2,1H3
InChIKeyNLAVZVVGSJSESV-UHFFFAOYSA-N
XLogP2.65
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
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
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
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-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266558
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-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168922123
4-[5-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064373
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 4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one?
The IUPAC name of 4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one (CID 168921735) is 4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one?
The canonical SMILES for 4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one is CN1CCN(c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)C(=O)C1c1ccccc1.
What is the InChIKey of 4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one?
The InChIKey is NLAVZVVGSJSESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-30-11-12-32(26(34)25(30)20-5-3-2-4-6-20)22-18-24(31-13-15-35-16-14-31)33-23(28-22)17-21(29-33)19-7-9-27-10-8-19/h2-10,17-18,25H,11-16H2,1H3.
What are the key properties of 4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one?
4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one has a molecular weight of 469.55 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one is sourced from PubChem (CID 168921735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).