N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide

C27H26N8O3 — CID 69295363

About N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide

N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide (PubChem CID 69295363) has the molecular formula C27H26N8O3 and a molecular weight of 510.56 g/mol. Its IUPAC name is N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
• PubChem CID: 69295363
• Molecular Formula: C27H26N8O3
• Molecular Weight: 510.56 g/mol
• Exact Mass: 510.21
• IUPAC Name: N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)C)nn3-c3ccc4nc[nH]c4c3)cc2)ccn1
• InChI: InChI=1S/C27H26N8O3/c1-16(2)23-14-26(35(34-23)19-6-9-22-24(12-19)30-15-29-22)33-27(37)32-18-4-7-20(8-5-18)38-21-10-11-28-25(13-21)31-17(3)36/h4-16H,1-3H3,(H,29,30)(H,28,31,36)(H2,32,33,37)
• InChIKey: OMHNLYABRDBWJK-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 138.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.56
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide (CID 69295363) is N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)C)nn3-c3ccc4nc[nH]c4c3)cc2)ccn1.

What is the InChIKey of N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide?

The InChIKey is OMHNLYABRDBWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O3/c1-16(2)23-14-26(35(34-23)19-6-9-22-24(12-19)30-15-29-22)33-27(37)32-18-4-7-20(8-5-18)38-21-10-11-28-25(13-21)31-17(3)36/h4-16H,1-3H3,(H,29,30)(H,28,31,36)(H2,32,33,37).

What are the key properties of N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide?

N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide has a molecular weight of 510.56 g/mol, XLogP of 5.66, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[[1-(3H-benzimidazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 69295363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).