4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine

C26H30N8O — CID 156832307

IUPAC4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine
SMILESCc1cc(-c2ccccc2)nn1-c1nc2c(c(N3CCOCC3)n1)CN(CCc1ccn(C)n1)C2
InChIInChI=1S/C26H30N8O/c1-19-16-23(20-6-4-3-5-7-20)30-34(19)26-27-24-18-32(11-9-21-8-10-31(2)29-21)17-22(24)25(28-26)33-12-14-35-15-13-33/h3-8,10,16H,9,11-15,17-18H2,1-2H3
InChIKeyVKUJTEAZGBFUHO-UHFFFAOYSA-N
MW470.58 g/mol
LogP2.77
Rot. Bonds6

About 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine

4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine (PubChem CID 156832307) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine
PubChem CID156832307
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine
SMILESCc1cc(-c2ccccc2)nn1-c1nc2c(c(N3CCOCC3)n1)CN(CCc1ccn(C)n1)C2
InChIInChI=1S/C26H30N8O/c1-19-16-23(20-6-4-3-5-7-20)30-34(19)26-27-24-18-32(11-9-21-8-10-31(2)29-21)17-22(24)25(28-26)33-12-14-35-15-13-33/h3-8,10,16H,9,11-15,17-18H2,1-2H3
InChIKeyVKUJTEAZGBFUHO-UHFFFAOYSA-N
XLogP2.77
TPSA77.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

2-[4-(5-methyl-3-phenylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]ethanol
CID 156832106
4-[9-ethyl-8-iodo-2-[3-(1-methylpyrazol-3-yl)phenyl]purin-6-yl]morpholine
CID 168921038
4-methyl-2-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)-5-phenyl-1,2,4-triazol-3-one
CID 168922607
3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one
CID 155812528
4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine
CID 141362088
4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171334151
4-methyl-6-(2-morpholin-4-ylethyl)-2-phenylpyrimidin-5-ol
CID 12595162
4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198
1-[9-ethyl-2-[3-(1-methylpyrazol-3-yl)phenyl]-6-morpholin-4-ylpurin-8-yl]cyclobutan-1-ol
CID 168921626
4-[6-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42870493
N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 78921223
4-(3-methyl-6-phenylimidazo[1,2-a]pyrazin-8-yl)morpholine
CID 90084217

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine (CID 156832307) is 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine is Cc1cc(-c2ccccc2)nn1-c1nc2c(c(N3CCOCC3)n1)CN(CCc1ccn(C)n1)C2.
What is the InChIKey of 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is VKUJTEAZGBFUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-19-16-23(20-6-4-3-5-7-20)30-34(19)26-27-24-18-32(11-9-21-8-10-31(2)29-21)17-22(24)25(28-26)33-12-14-35-15-13-33/h3-8,10,16H,9,11-15,17-18H2,1-2H3.
What are the key properties of 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine?
4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 470.58 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-3-phenylpyrazol-1-yl)-6-[2-(1-methylpyrazol-3-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156832307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).