N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

C30H33BrClN5O3 — CID 68651904

About N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (PubChem CID 68651904) has the molecular formula C30H33BrClN5O3 and a molecular weight of 626.98 g/mol. Its IUPAC name is N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
• PubChem CID: 68651904
• Molecular Formula: C30H33BrClN5O3
• Molecular Weight: 626.98 g/mol
• Exact Mass: 625.15
• IUPAC Name: N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(=O)NC(CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)cc1Cl
• InChI: InChI=1S/C30H33BrClN5O3/c1-19(2)40-27-12-11-22(15-25(27)32)30(39)34-23(16-33-28(38)18-36(3)4)14-20-7-9-21(10-8-20)26-17-37-13-5-6-24(31)29(37)35-26/h5-13,15,17,19,23H,14,16,18H2,1-4H3,(H,33,38)(H,34,39)
• InChIKey: PUXLCTOPOXNPLG-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.98
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The IUPAC name of N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (CID 68651904) is N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

What is the SMILES notation for N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The canonical SMILES for N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC(CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc(Br)c4n3)cc2)cc1Cl.

What is the InChIKey of N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The InChIKey is PUXLCTOPOXNPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33BrClN5O3/c1-19(2)40-27-12-11-22(15-25(27)32)30(39)34-23(16-33-28(38)18-36(3)4)14-20-7-9-21(10-8-20)26-17-37-13-5-6-24(31)29(37)35-26/h5-13,15,17,19,23H,14,16,18H2,1-4H3,(H,33,38)(H,34,39).

What are the key properties of N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide has a molecular weight of 626.98 g/mol, XLogP of 5.22, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 68651904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).