2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid

C45H47Cl4N9O4 — CID 87265055

About 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid

2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid (PubChem CID 87265055) has the molecular formula C45H47Cl4N9O4 and a molecular weight of 919.74 g/mol. Its IUPAC name is 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid.

Molecular Properties

• Compound Name: 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid
• PubChem CID: 87265055
• Molecular Formula: C45H47Cl4N9O4
• Molecular Weight: 919.74 g/mol
• Exact Mass: 917.25
• IUPAC Name: 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid
• SMILES: CC(C)NC(=O)CN1CCN(C(=O)c2cnc3c(c2)N(Cc2cc(Cl)ccc2Cl)CCN3)CC1.O=C(O)c1ccccc1-c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2
• InChI: InChI=1S/C24H30Cl2N6O2.C21H17Cl2N3O2/c1-16(2)29-22(33)15-30-7-9-31(10-8-30)24(34)17-12-21-23(28-13-17)27-5-6-32(21)14-18-11-19(25)3-4-20(18)26;22-15-5-6-18(23)14(9-15)12-26-8-7-24-20-19(26)10-13(11-25-20)16-3-1-2-4-17(16)21(27)28/h3-4,11-13,16H,5-10,14-15H2,1-2H3,(H,27,28)(H,29,33);1-6,9-11H,7-8,12H2,(H,24,25)(H,27,28)
• InChIKey: KRBOTUZXAFLYAA-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 146.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.74
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid?

The IUPAC name of 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid (CID 87265055) is 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid.

What is the SMILES notation for 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid?

The canonical SMILES for 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid is CC(C)NC(=O)CN1CCN(C(=O)c2cnc3c(c2)N(Cc2cc(Cl)ccc2Cl)CCN3)CC1.O=C(O)c1ccccc1-c1cnc2c(c1)N(Cc1cc(Cl)ccc1Cl)CCN2.

What is the InChIKey of 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid?

The InChIKey is KRBOTUZXAFLYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N6O2.C21H17Cl2N3O2/c1-16(2)29-22(33)15-30-7-9-31(10-8-30)24(34)17-12-21-23(28-13-17)27-5-6-32(21)14-18-11-19(25)3-4-20(18)26;22-15-5-6-18(23)14(9-15)12-26-8-7-24-20-19(26)10-13(11-25-20)16-3-1-2-4-17(16)21(27)28/h3-4,11-13,16H,5-10,14-15H2,1-2H3,(H,27,28)(H,29,33);1-6,9-11H,7-8,12H2,(H,24,25)(H,27,28).

What are the key properties of 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid?

2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid has a molecular weight of 919.74 g/mol, XLogP of 8.29, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-7-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide;2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid is sourced from PubChem (CID 87265055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).