N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

About N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 177231047) has the molecular formula C23H28ClN5O3 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name	N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID	177231047
Molecular Formula	C23H28ClN5O3
Molecular Weight	457.96 g/mol
Exact Mass	457.19
IUPAC Name	N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILES	CC(C)OC1CN(C/C=C/C(=O)N2CCn3c(C(=O)Nc4ccccc4Cl)cnc3C2)C1
InChI	InChI=1S/C23H28ClN5O3/c1-16(2)32-17-13-27(14-17)9-5-8-22(30)28-10-11-29-20(12-25-21(29)15-28)23(31)26-19-7-4-3-6-18(19)24/h3-8,12,16-17H,9-11,13-15H2,1-2H3,(H,26,31)/b8-5+
InChIKey	JAKBVDPVDOGFEF-VMPITWQZSA-N
XLogP	2.80
TPSA	79.70 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.96
LogP ≤ 5	2.80
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 N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

The IUPAC name of N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 177231047) is N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

The canonical SMILES for N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is CC(C)OC1CN(C/C=C/C(=O)N2CCn3c(C(=O)Nc4ccccc4Cl)cnc3C2)C1.

What is the InChIKey of N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

The InChIKey is JAKBVDPVDOGFEF-VMPITWQZSA-N. The full InChI is InChI=1S/C23H28ClN5O3/c1-16(2)32-17-13-27(14-17)9-5-8-22(30)28-10-11-29-20(12-25-21(29)15-28)23(31)26-19-7-4-3-6-18(19)24/h3-8,12,16-17H,9-11,13-15H2,1-2H3,(H,26,31)/b8-5+.

What are the key properties of N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?

N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-7-[(E)-4-(3-propan-2-yloxyazetidin-1-yl)but-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 177231047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).