N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C31H41FN6O3 — CID 159536870

About N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 159536870) has the molecular formula C31H41FN6O3 and a molecular weight of 564.71 g/mol. Its IUPAC name is N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 159536870
• Molecular Formula: C31H41FN6O3
• Molecular Weight: 564.71 g/mol
• Exact Mass: 564.32
• IUPAC Name: N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: CC[C@@H](C)C(=O)N[C@@H](CN(C)C)C(=O)N1CCC[C@H]1CN(CCc1ccc(F)cc1)C(=O)c1cn2ccccc2n1
• InChI: InChI=1S/C31H41FN6O3/c1-5-22(2)29(39)34-26(20-35(3)4)31(41)38-17-8-9-25(38)19-37(18-15-23-11-13-24(32)14-12-23)30(40)27-21-36-16-7-6-10-28(36)33-27/h6-7,10-14,16,21-22,25-26H,5,8-9,15,17-20H2,1-4H3,(H,34,39)/t22-,25+,26+/m1/s1
• InChIKey: MDRYHXLJGYKKOX-RZFJZAQRSA-N
• XLogP: 3.24
• TPSA: 90.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.71
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 159536870) is N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is CC[C@@H](C)C(=O)N[C@@H](CN(C)C)C(=O)N1CCC[C@H]1CN(CCc1ccc(F)cc1)C(=O)c1cn2ccccc2n1.

What is the InChIKey of N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is MDRYHXLJGYKKOX-RZFJZAQRSA-N. The full InChI is InChI=1S/C31H41FN6O3/c1-5-22(2)29(39)34-26(20-35(3)4)31(41)38-17-8-9-25(38)19-37(18-15-23-11-13-24(32)14-12-23)30(40)27-21-36-16-7-6-10-28(36)33-27/h6-7,10-14,16,21-22,25-26H,5,8-9,15,17-20H2,1-4H3,(H,34,39)/t22-,25+,26+/m1/s1.

What are the key properties of N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?

N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 564.71 g/mol, XLogP of 3.24, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-1-[(2S)-3-(dimethylamino)-2-[[(2R)-2-methylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 159536870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).