N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

C25H26N8O2 — CID 157041541

About N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157041541) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
• PubChem CID: 157041541
• Molecular Formula: C25H26N8O2
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.22
• IUPAC Name: N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2ccc3nc(Nc4cc5n(n4)CCCC5(C)C)n(C)c3c2C#N)ccn1
• InChI: InChI=1S/C25H26N8O2/c1-15(34)28-21-12-16(8-10-27-21)35-19-7-6-18-23(17(19)14-26)32(4)24(29-18)30-22-13-20-25(2,3)9-5-11-33(20)31-22/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,27,28,34)(H,29,30,31)
• InChIKey: ZBOJLIJZBISAMF-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 122.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (CID 157041541) is N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3nc(Nc4cc5n(n4)CCCC5(C)C)n(C)c3c2C#N)ccn1.

What is the InChIKey of N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?

The InChIKey is ZBOJLIJZBISAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-15(34)28-21-12-16(8-10-27-21)35-19-7-6-18-23(17(19)14-26)32(4)24(29-18)30-22-13-20-25(2,3)9-5-11-33(20)31-22/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,27,28,34)(H,29,30,31).

What are the key properties of N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?

N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 470.54 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-cyano-2-[(4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157041541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).