N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide

C23H27N7O2 — CID 164532284

About N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide

N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 164532284) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide
• PubChem CID: 164532284
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide
• SMILES: CN(C(=O)CN1CCCCC1=O)c1cnc2nc(-c3n[nH]c4c3CC3C[C@]3(C)C4)[nH]c2c1
• InChI: InChI=1S/C23H27N7O2/c1-23-9-13(23)7-15-17(10-23)27-28-20(15)22-25-16-8-14(11-24-21(16)26-22)29(2)19(32)12-30-6-4-3-5-18(30)31/h8,11,13H,3-7,9-10,12H2,1-2H3,(H,27,28)(H,24,25,26)/t13?,23-/m1/s1
• InChIKey: PLPHSTPUCBSRNG-KBEVUASJSA-N
• XLogP: 2.45
• TPSA: 110.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide?

The IUPAC name of N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide (CID 164532284) is N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide.

What is the SMILES notation for N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide?

The canonical SMILES for N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide is CN(C(=O)CN1CCCCC1=O)c1cnc2nc(-c3n[nH]c4c3CC3C[C@]3(C)C4)[nH]c2c1.

What is the InChIKey of N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide?

The InChIKey is PLPHSTPUCBSRNG-KBEVUASJSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-23-9-13(23)7-15-17(10-23)27-28-20(15)22-25-16-8-14(11-24-21(16)26-22)29(2)19(32)12-30-6-4-3-5-18(30)31/h8,11,13H,3-7,9-10,12H2,1-2H3,(H,27,28)(H,24,25,26)/t13?,23-/m1/s1.

What are the key properties of N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide?

N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 433.52 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 164532284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).