N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide

C31H33N5O4 — CID 68651185

About N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide

N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide (PubChem CID 68651185) has the molecular formula C31H33N5O4 and a molecular weight of 539.64 g/mol. Its IUPAC name is N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
• PubChem CID: 68651185
• Molecular Formula: C31H33N5O4
• Molecular Weight: 539.64 g/mol
• Exact Mass: 539.25
• IUPAC Name: N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(=O)NC(CCC(N)=O)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1C#N
• InChI: InChI=1S/C31H33N5O4/c1-19(2)40-28-12-10-23(16-24(28)17-32)31(39)34-25(11-13-29(33)38)15-21-6-8-22(9-7-21)27-18-36-14-4-5-26(20(3)37)30(36)35-27/h4-10,12,14,16,18-20,25,37H,11,13,15H2,1-3H3,(H2,33,38)(H,34,39)
• InChIKey: WMWJBOICJINAMU-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 142.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.64
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide (CID 68651185) is N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide.

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

The canonical SMILES for N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC(CCC(N)=O)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1C#N.

What is the InChIKey of N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?

The InChIKey is WMWJBOICJINAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O4/c1-19(2)40-28-12-10-23(16-24(28)17-32)31(39)34-25(11-13-29(33)38)15-21-6-8-22(9-7-21)27-18-36-14-4-5-26(20(3)37)30(36)35-27/h4-10,12,14,16,18-20,25,37H,11,13,15H2,1-3H3,(H2,33,38)(H,34,39).

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

N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide has a molecular weight of 539.64 g/mol, XLogP of 4.32, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide is sourced from PubChem (CID 68651185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).