N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide

C29H29N7O2 — CID 147618454

About N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide

N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide (PubChem CID 147618454) has the molecular formula C29H29N7O2 and a molecular weight of 507.60 g/mol. Its IUPAC name is N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide
• PubChem CID: 147618454
• Molecular Formula: C29H29N7O2
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.24
• IUPAC Name: N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Oc2ccc3nc(-c4cc(-c5cnn(C6CCCCC6)c5)cnc4N)[nH]c3c2)cc1
• InChI: InChI=1S/C29H29N7O2/c1-18(37)33-21-7-9-23(10-8-21)38-24-11-12-26-27(14-24)35-29(34-26)25-13-19(15-31-28(25)30)20-16-32-36(17-20)22-5-3-2-4-6-22/h7-17,22H,2-6H2,1H3,(H2,30,31)(H,33,37)(H,34,35)
• InChIKey: GDJVFLXNACHZLR-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 123.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide?

The IUPAC name of N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide (CID 147618454) is N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide.

What is the SMILES notation for N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide?

The canonical SMILES for N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc3nc(-c4cc(-c5cnn(C6CCCCC6)c5)cnc4N)[nH]c3c2)cc1.

What is the InChIKey of N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide?

The InChIKey is GDJVFLXNACHZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O2/c1-18(37)33-21-7-9-23(10-8-21)38-24-11-12-26-27(14-24)35-29(34-26)25-13-19(15-31-28(25)30)20-16-32-36(17-20)22-5-3-2-4-6-22/h7-17,22H,2-6H2,1H3,(H2,30,31)(H,33,37)(H,34,35).

What are the key properties of N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide?

N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide has a molecular weight of 507.60 g/mol, XLogP of 6.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 147618454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).