(2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine

C20H24N6O — CID 95867093

IUPAC(2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine
SMILESc1ccc(N2CCO[C@H](Cn3ccnc3-c3cc4n(n3)CCNC4)C2)cc1
InChIInChI=1S/C20H24N6O/c1-2-4-16(5-3-1)24-10-11-27-18(14-24)15-25-8-7-22-20(25)19-12-17-13-21-6-9-26(17)23-19/h1-5,7-8,12,18,21H,6,9-11,13-15H2/t18-/m0/s1
InChIKeyJPUMHJTZZDIVDS-SFHVURJKSA-N
MW364.45 g/mol
LogP1.76
Rot. Bonds4

About (2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine

(2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine (PubChem CID 95867093) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine
PubChem CID95867093
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name(2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine
SMILESc1ccc(N2CCO[C@H](Cn3ccnc3-c3cc4n(n3)CCNC4)C2)cc1
InChIInChI=1S/C20H24N6O/c1-2-4-16(5-3-1)24-10-11-27-18(14-24)15-25-8-7-22-20(25)19-12-17-13-21-6-9-26(17)23-19/h1-5,7-8,12,18,21H,6,9-11,13-15H2/t18-/m0/s1
InChIKeyJPUMHJTZZDIVDS-SFHVURJKSA-N
XLogP1.76
TPSA60.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(4-phenyloxan-4-yl)methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70709789
(2R)-1-phenoxy-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95889436
5-benzyl-3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 70777947
3-benzyl-5-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole;dihydrochloride
CID 154895537
2-[1-[(3-phenylpyrazolidin-4-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 78084607
(2R)-1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95872865
1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 70744871
3-propyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 70708546
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155916058
3-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]-5-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 70711129
5-benzyl-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 154893561
2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154893483

Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine?
The IUPAC name of (2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine (CID 95867093) is (2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine.
What is the SMILES notation for (2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine?
The canonical SMILES for (2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine is c1ccc(N2CCO[C@H](Cn3ccnc3-c3cc4n(n3)CCNC4)C2)cc1.
What is the InChIKey of (2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine?
The InChIKey is JPUMHJTZZDIVDS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-4-16(5-3-1)24-10-11-27-18(14-24)15-25-8-7-22-20(25)19-12-17-13-21-6-9-26(17)23-19/h1-5,7-8,12,18,21H,6,9-11,13-15H2/t18-/m0/s1.
What are the key properties of (2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine?
(2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine has a molecular weight of 364.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine is sourced from PubChem (CID 95867093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).