(6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C19H23N5 — CID 124978366

IUPAC(6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC(C)n1nccc1CN1Cc2nccn2C[C@@H]1c1ccccc1
InChIInChI=1S/C19H23N5/c1-15(2)24-17(8-9-21-24)12-23-14-19-20-10-11-22(19)13-18(23)16-6-4-3-5-7-16/h3-11,15,18H,12-14H2,1-2H3/t18-/m1/s1
InChIKeyLTHQDRPIVGLGIT-GOSISDBHSA-N
MW321.43 g/mol
LogP3.42
Rot. Bonds4

About (6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 124978366) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is (6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID124978366
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name(6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC(C)n1nccc1CN1Cc2nccn2C[C@@H]1c1ccccc1
InChIInChI=1S/C19H23N5/c1-15(2)24-17(8-9-21-24)12-23-14-19-20-10-11-22(19)13-18(23)16-6-4-3-5-7-16/h3-11,15,18H,12-14H2,1-2H3/t18-/m1/s1
InChIKeyLTHQDRPIVGLGIT-GOSISDBHSA-N
XLogP3.42
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 110117694
(6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 125015465
2-methoxy-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 124973448
(3S,5R)-5-(4-fluorophenyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 129349792
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 125009994
4-[[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 124948908
(3-ethyl-1,2-oxazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 124962333
(5-methyl-1,3-oxazol-4-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 124967482
2-(2-ethylimidazol-1-yl)-1-[(6R)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 124954246
4-(phenoxymethyl)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 155990857
(6R)-6-(2-methoxyphenyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 124973235
(1-ethyl-3-methylpyrazol-4-yl)-(6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 110117625

Frequently Asked Questions

What is the IUPAC name of (6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 124978366) is (6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC(C)n1nccc1CN1Cc2nccn2C[C@@H]1c1ccccc1.
What is the InChIKey of (6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is LTHQDRPIVGLGIT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N5/c1-15(2)24-17(8-9-21-24)12-23-14-19-20-10-11-22(19)13-18(23)16-6-4-3-5-7-16/h3-11,15,18H,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 321.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-phenyl-7-[(2-propan-2-ylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 124978366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).