2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

C30H34ClN5O3 — CID 173059137

About 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (PubChem CID 173059137) has the molecular formula C30H34ClN5O3 and a molecular weight of 548.09 g/mol. Its IUPAC name is 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
• PubChem CID: 173059137
• Molecular Formula: C30H34ClN5O3
• Molecular Weight: 548.09 g/mol
• Exact Mass: 547.24
• IUPAC Name: 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
• SMILES: Cc1cccn2cc(-c3ccc(CC(CNC(=O)C(C)N)c4c(C(N)=O)ccc(OC(C)C)c4Cl)cc3)nc12
• InChI: InChI=1S/C30H34ClN5O3/c1-17(2)39-25-12-11-23(28(33)37)26(27(25)31)22(15-34-30(38)19(4)32)14-20-7-9-21(10-8-20)24-16-36-13-5-6-18(3)29(36)35-24/h5-13,16-17,19,22H,14-15,32H2,1-4H3,(H2,33,37)(H,34,38)
• InChIKey: DXAMPJLNSLOCOL-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 124.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.09
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The IUPAC name of 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (CID 173059137) is 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

What is the SMILES notation for 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The canonical SMILES for 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is Cc1cccn2cc(-c3ccc(CC(CNC(=O)C(C)N)c4c(C(N)=O)ccc(OC(C)C)c4Cl)cc3)nc12.

What is the InChIKey of 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The InChIKey is DXAMPJLNSLOCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O3/c1-17(2)39-25-12-11-23(28(33)37)26(27(25)31)22(15-34-30(38)19(4)32)14-20-7-9-21(10-8-20)24-16-36-13-5-6-18(3)29(36)35-24/h5-13,16-17,19,22H,14-15,32H2,1-4H3,(H2,33,37)(H,34,38).

What are the key properties of 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide has a molecular weight of 548.09 g/mol, XLogP of 4.64, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 173059137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).