4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine

C23H25N9O — CID 4556262

IUPAC4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
SMILESc1ccc(-n2ncc3c(N4CCN(c5ncccn5)CC4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C23H25N9O/c1-2-5-18(6-3-1)32-21-19(17-26-32)20(27-23(28-21)31-13-15-33-16-14-31)29-9-11-30(12-10-29)22-24-7-4-8-25-22/h1-8,17H,9-16H2
InChIKeyHGNRJFPNNWVCRE-UHFFFAOYSA-N
MW443.52 g/mol
LogP1.77
Rot. Bonds4

About 4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine

4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine (PubChem CID 4556262) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is 4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
PubChem CID4556262
Molecular FormulaC23H25N9O
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
SMILESc1ccc(-n2ncc3c(N4CCN(c5ncccn5)CC4)nc(N4CCOCC4)nc32)cc1
InChIInChI=1S/C23H25N9O/c1-2-5-18(6-3-1)32-21-19(17-26-32)20(27-23(28-21)31-13-15-33-16-14-31)29-9-11-30(12-10-29)22-24-7-4-8-25-22/h1-8,17H,9-16H2
InChIKeyHGNRJFPNNWVCRE-UHFFFAOYSA-N
XLogP1.77
TPSA88.33 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 661092
4-[1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 8009259
N-(4-fluorophenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17017174
N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016776
(6-morpholin-4-yl-1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
CID 170724777
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
6-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 1235469
4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7162577
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[6-(4-benzylpiperazin-4-ium-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7216427

Frequently Asked Questions

What is the IUPAC name of 4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
The IUPAC name of 4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine (CID 4556262) is 4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine.
What is the SMILES notation for 4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
The canonical SMILES for 4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine is c1ccc(-n2ncc3c(N4CCN(c5ncccn5)CC4)nc(N4CCOCC4)nc32)cc1.
What is the InChIKey of 4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
The InChIKey is HGNRJFPNNWVCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O/c1-2-5-18(6-3-1)32-21-19(17-26-32)20(27-23(28-21)31-13-15-33-16-14-31)29-9-11-30(12-10-29)22-24-7-4-8-25-22/h1-8,17H,9-16H2.
What are the key properties of 4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine?
4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine has a molecular weight of 443.52 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine is sourced from PubChem (CID 4556262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).