N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C25H25N9O2 — CID 168774314

About N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 168774314) has the molecular formula C25H25N9O2 and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
• PubChem CID: 168774314
• Molecular Formula: C25H25N9O2
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.21
• IUPAC Name: N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2cnc3nc(NC4=NC5CCN(C)C6(CC6)C5=C4)n(C)c3c2C#N)ccn1
• InChI: InChI=1S/C25H25N9O2/c1-14(35)29-20-10-15(4-8-27-20)36-19-13-28-23-22(16(19)12-26)34(3)24(32-23)31-21-11-17-18(30-21)5-9-33(2)25(17)6-7-25/h4,8,10-11,13,18H,5-7,9H2,1-3H3,(H,27,29,35)(H,28,30,31,32)
• InChIKey: UIVTYBFMLFACDF-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 133.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 168774314) is N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(NC4=NC5CCN(C)C6(CC6)C5=C4)n(C)c3c2C#N)ccn1.

What is the InChIKey of N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The InChIKey is UIVTYBFMLFACDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O2/c1-14(35)29-20-10-15(4-8-27-20)36-19-13-28-23-22(16(19)12-26)34(3)24(32-23)31-21-11-17-18(30-21)5-9-33(2)25(17)6-7-25/h4,8,10-11,13,18H,5-7,9H2,1-3H3,(H,27,29,35)(H,28,30,31,32).

What are the key properties of N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 483.54 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 168774314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).