(3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one

C28H27FN4O2 — CID 58179141

IUPAC(3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C[C@@H](O)c2ccccc2)C3)cc1
InChIInChI=1S/C28H27FN4O2/c1-19-7-13-23(14-8-19)30-28-27(21-9-11-22(29)12-10-21)31-25-18-32(15-16-33(25)28)26(35)17-24(34)20-5-3-2-4-6-20/h2-14,24,30,34H,15-18H2,1H3/t24-/m1/s1
InChIKeyLWQPWQPRZFSJET-XMMPIXPASA-N
MW470.55 g/mol
LogP5.21
Rot. Bonds6

About (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one

(3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one (PubChem CID 58179141) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one
PubChem CID58179141
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name(3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one
SMILESCc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C[C@@H](O)c2ccccc2)C3)cc1
InChIInChI=1S/C28H27FN4O2/c1-19-7-13-23(14-8-19)30-28-27(21-9-11-22(29)12-10-21)31-25-18-32(15-16-33(25)28)26(35)17-24(34)20-5-3-2-4-6-20/h2-14,24,30,34H,15-18H2,1H3/t24-/m1/s1
InChIKeyLWQPWQPRZFSJET-XMMPIXPASA-N
XLogP5.21
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one?
The IUPAC name of (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one (CID 58179141) is (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one.
What is the SMILES notation for (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one?
The canonical SMILES for (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one is Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C[C@@H](O)c2ccccc2)C3)cc1.
What is the InChIKey of (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one?
The InChIKey is LWQPWQPRZFSJET-XMMPIXPASA-N. The full InChI is InChI=1S/C28H27FN4O2/c1-19-7-13-23(14-8-19)30-28-27(21-9-11-22(29)12-10-21)31-25-18-32(15-16-33(25)28)26(35)17-24(34)20-5-3-2-4-6-20/h2-14,24,30,34H,15-18H2,1H3/t24-/m1/s1.
What are the key properties of (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one?
(3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one has a molecular weight of 470.55 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-phenylpropan-1-one is sourced from PubChem (CID 58179141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).