7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

About 7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 146072668) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name	7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID	146072668
Molecular Formula	C22H24N6O2
Molecular Weight	404.47 g/mol
Exact Mass	404.20
IUPAC Name	7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILES	C=C(C)C(=O)N1CCn2cc(C(=O)NCc3cnn(C)c3)nc2C1c1ccccc1
InChI	InChI=1S/C22H24N6O2/c1-15(2)22(30)28-10-9-27-14-18(21(29)23-11-16-12-24-26(3)13-16)25-20(27)19(28)17-7-5-4-6-8-17/h4-8,12-14,19H,1,9-11H2,2-3H3,(H,23,29)
InChIKey	QBFMUNSPXSPTCF-UHFFFAOYSA-N
XLogP	2.05
TPSA	85.05 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of 7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 146072668) is 7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for 7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for 7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is C=C(C)C(=O)N1CCn2cc(C(=O)NCc3cnn(C)c3)nc2C1c1ccccc1.

What is the InChIKey of 7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is QBFMUNSPXSPTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-15(2)22(30)28-10-9-27-14-18(21(29)23-11-16-12-24-26(3)13-16)25-20(27)19(28)17-7-5-4-6-8-17/h4-8,12-14,19H,1,9-11H2,2-3H3,(H,23,29).

What are the key properties of 7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?

7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-methylprop-2-enoyl)-N-[(1-methylpyrazol-4-yl)methyl]-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 146072668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).