ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide

C28H32FN5O4 — CID 144771693

About ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide

ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 144771693) has the molecular formula C28H32FN5O4 and a molecular weight of 521.59 g/mol. Its IUPAC name is ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 144771693
• Molecular Formula: C28H32FN5O4
• Molecular Weight: 521.59 g/mol
• Exact Mass: 521.24
• IUPAC Name: ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC.Cc1ccc([C@H](C)NC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2cc(OCCO)ccn12
• InChI: InChI=1S/C26H26FN5O4.C2H6/c1-16-6-7-18(17(2)29-26(35)30-20-5-3-4-19(27)13-20)12-22(16)31-25(34)23-15-28-24-14-21(36-11-10-33)8-9-32(23)24;1-2/h3-9,12-15,17,33H,10-11H2,1-2H3,(H,31,34)(H2,29,30,35);1-2H3/t17-;/m0./s1
• InChIKey: WPVHOQDJYNSMQL-LMOVPXPDSA-N
• XLogP: 5.31
• TPSA: 116.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.59
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 144771693) is ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is CC.Cc1ccc([C@H](C)NC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2cc(OCCO)ccn12.

What is the InChIKey of ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is WPVHOQDJYNSMQL-LMOVPXPDSA-N. The full InChI is InChI=1S/C26H26FN5O4.C2H6/c1-16-6-7-18(17(2)29-26(35)30-20-5-3-4-19(27)13-20)12-22(16)31-25(34)23-15-28-24-14-21(36-11-10-33)8-9-32(23)24;1-2/h3-9,12-15,17,33H,10-11H2,1-2H3,(H,31,34)(H2,29,30,35);1-2H3/t17-;/m0./s1.

What are the key properties of ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?

ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 521.59 g/mol, XLogP of 5.31, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 144771693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).