2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one

C23H27N5O — CID 58179418

IUPAC2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
SMILESCc1ccc(Nc2c(-c3ccccc3)nc3n2CCN(C(=O)C(C)(C)N)C3)cc1
InChIInChI=1S/C23H27N5O/c1-16-9-11-18(12-10-16)25-21-20(17-7-5-4-6-8-17)26-19-15-27(13-14-28(19)21)22(29)23(2,3)24/h4-12,25H,13-15,24H2,1-3H3
InChIKeyNSBHTVPJKPODGN-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.68
Rot. Bonds4

About 2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one

2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one (PubChem CID 58179418) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
PubChem CID58179418
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
SMILESCc1ccc(Nc2c(-c3ccccc3)nc3n2CCN(C(=O)C(C)(C)N)C3)cc1
InChIInChI=1S/C23H27N5O/c1-16-9-11-18(12-10-16)25-21-20(17-7-5-4-6-8-17)26-19-15-27(13-14-28(19)21)22(29)23(2,3)24/h4-12,25H,13-15,24H2,1-3H3
InChIKeyNSBHTVPJKPODGN-UHFFFAOYSA-N
XLogP3.68
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one (CID 58179418) is 2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one is Cc1ccc(Nc2c(-c3ccccc3)nc3n2CCN(C(=O)C(C)(C)N)C3)cc1.
What is the InChIKey of 2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
The InChIKey is NSBHTVPJKPODGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-9-11-18(12-10-16)25-21-20(17-7-5-4-6-8-17)26-19-15-27(13-14-28(19)21)22(29)23(2,3)24/h4-12,25H,13-15,24H2,1-3H3.
What are the key properties of 2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one?
2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one has a molecular weight of 389.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[3-(4-methylanilino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 58179418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).