2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

C90H76Cl4N20O7 — CID 158352093

About 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 158352093) has the molecular formula C90H76Cl4N20O7 and a molecular weight of 1691.54 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
• PubChem CID: 158352093
• Molecular Formula: C90H76Cl4N20O7
• Molecular Weight: 1691.54 g/mol
• Exact Mass: 1688.50
• IUPAC Name: 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
• SMILES: CN(CC#N)C(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)cnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCOCC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)NCCN1CCOCC1.O=C(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
• InChI: InChI=1S/C25H25ClN6O2.C23H20ClN5O2.C23H18ClN5O.C19H13ClN4O2/c26-22-21-23(18-7-3-1-4-8-18)30-32(17-20(33)27-11-12-31-13-15-34-16-14-31)25(21)29-28-24(22)19-9-5-2-6-10-19;24-20-19-21(16-7-3-1-4-8-16)27-29(15-18(30)28-11-13-31-14-12-28)23(19)26-25-22(20)17-9-5-2-6-10-17;1-28(13-12-25)19(30)15-29-23-20(22(27-29)17-10-6-3-7-11-17)21(24)18(14-26-23)16-8-4-2-5-9-16;20-16-15-17(12-7-3-1-4-8-12)23-24(11-14(25)26)19(15)22-21-18(16)13-9-5-2-6-10-13/h1-10H,11-17H2,(H,27,33);1-10H,11-15H2;2-11,14H,13,15H2,1H3;1-10H,11H2,(H,25,26)
• InChIKey: GSLCQSSWENDYOW-UHFFFAOYSA-N
• XLogP: 15.23
• TPSA: 314.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1691.54
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?

The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 158352093) is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide.

What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?

The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is CN(CC#N)C(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)cnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCOCC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)NCCN1CCOCC1.O=C(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.

What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?

The InChIKey is GSLCQSSWENDYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2.C23H20ClN5O2.C23H18ClN5O.C19H13ClN4O2/c26-22-21-23(18-7-3-1-4-8-18)30-32(17-20(33)27-11-12-31-13-15-34-16-14-31)25(21)29-28-24(22)19-9-5-2-6-10-19;24-20-19-21(16-7-3-1-4-8-16)27-29(15-18(30)28-11-13-31-14-12-28)23(19)26-25-22(20)17-9-5-2-6-10-17;1-28(13-12-25)19(30)15-29-23-20(22(27-29)17-10-6-3-7-11-17)21(24)18(14-26-23)16-8-4-2-5-9-16;20-16-15-17(12-7-3-1-4-8-12)23-24(11-14(25)26)19(15)22-21-18(16)13-9-5-2-6-10-13/h1-10H,11-17H2,(H,27,33);1-10H,11-15H2;2-11,14H,13,15H2,1H3;1-10H,11H2,(H,25,26).

What are the key properties of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide?

2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 1691.54 g/mol, XLogP of 15.23, 20 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-b]pyridin-1-yl)-N-(cyanomethyl)-N-methylacetamide;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-morpholin-4-ylethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 158352093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).