N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

C29H30ClFN4O3 — CID 68555445

About N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide

N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (PubChem CID 68555445) has the molecular formula C29H30ClFN4O3 and a molecular weight of 537.04 g/mol. Its IUPAC name is N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
• PubChem CID: 68555445
• Molecular Formula: C29H30ClFN4O3
• Molecular Weight: 537.04 g/mol
• Exact Mass: 536.20
• IUPAC Name: N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
• SMILES: Cc1cccn2c(F)c(-c3ccc(C[C@@H](CCC(N)=O)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12
• InChI: InChI=1S/C29H30ClFN4O3/c1-17(2)38-24-12-10-21(16-23(24)30)29(37)33-22(11-13-25(32)36)15-19-6-8-20(9-7-19)26-27(31)35-14-4-5-18(3)28(35)34-26/h4-10,12,14,16-17,22H,11,13,15H2,1-3H3,(H2,32,36)(H,33,37)/t22-/m1/s1
• InChIKey: NHRSLVPMWDHZOO-JOCHJYFZSA-N
• XLogP: 5.50
• TPSA: 98.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.04
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The IUPAC name of N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide (CID 68555445) is N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide.

What is the SMILES notation for N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The canonical SMILES for N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is Cc1cccn2c(F)c(-c3ccc(C[C@@H](CCC(N)=O)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.

What is the InChIKey of N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

The InChIKey is NHRSLVPMWDHZOO-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H30ClFN4O3/c1-17(2)38-24-12-10-21(16-23(24)30)29(37)33-22(11-13-25(32)36)15-19-6-8-20(9-7-19)26-27(31)35-14-4-5-18(3)28(35)34-26/h4-10,12,14,16-17,22H,11,13,15H2,1-3H3,(H2,32,36)(H,33,37)/t22-/m1/s1.

What are the key properties of N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide?

N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide has a molecular weight of 537.04 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 68555445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).