N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide

C29H24N10O3 — CID 167408076

About N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide

N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide (PubChem CID 167408076) has the molecular formula C29H24N10O3 and a molecular weight of 560.58 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide
• PubChem CID: 167408076
• Molecular Formula: C29H24N10O3
• Molecular Weight: 560.58 g/mol
• Exact Mass: 560.20
• IUPAC Name: N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide
• SMILES: CC(=O)Nc1ccc2oc(-c3ccnc(C(=O)N4CCn5c(nc(-c6nnn(C)n6)c5-c5ccccc5)C4)c3)nc2c1
• InChI: InChI=1S/C29H24N10O3/c1-17(40)31-20-8-9-23-21(15-20)32-28(42-23)19-10-11-30-22(14-19)29(41)38-12-13-39-24(16-38)33-25(27-34-36-37(2)35-27)26(39)18-6-4-3-5-7-18/h3-11,14-15H,12-13,16H2,1-2H3,(H,31,40)
• InChIKey: LTDPUMVPSIPDNY-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 149.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.58
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide?

The IUPAC name of N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide (CID 167408076) is N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide.

What is the SMILES notation for N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide?

The canonical SMILES for N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide is CC(=O)Nc1ccc2oc(-c3ccnc(C(=O)N4CCn5c(nc(-c6nnn(C)n6)c5-c5ccccc5)C4)c3)nc2c1.

What is the InChIKey of N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide?

The InChIKey is LTDPUMVPSIPDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N10O3/c1-17(40)31-20-8-9-23-21(15-20)32-28(42-23)19-10-11-30-22(14-19)29(41)38-12-13-39-24(16-38)33-25(27-34-36-37(2)35-27)26(39)18-6-4-3-5-7-18/h3-11,14-15H,12-13,16H2,1-2H3,(H,31,40).

What are the key properties of N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide?

N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 560.58 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(2-methyltetrazol-5-yl)-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 167408076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).