N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C19H24ClFN6O4 — CID 162739153

About N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162739153) has the molecular formula C19H24ClFN6O4 and a molecular weight of 454.89 g/mol. Its IUPAC name is N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 162739153
• Molecular Formula: C19H24ClFN6O4
• Molecular Weight: 454.89 g/mol
• Exact Mass: 454.15
• IUPAC Name: N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)c1cn2ccccc2n1)C(=O)NN(CCC(N)=O)C(=O)[C@@H](F)Cl
• InChI: InChI=1S/C19H24ClFN6O4/c1-11(2)9-12(18(30)25-27(8-6-14(22)28)19(31)16(20)21)24-17(29)13-10-26-7-4-3-5-15(26)23-13/h3-5,7,10-12,16H,6,8-9H2,1-2H3,(H2,22,28)(H,24,29)(H,25,30)/t12-,16+/m0/s1
• InChIKey: TYEQHOQFRGZMGV-BLLLJJGKSA-N
• XLogP: 0.75
• TPSA: 138.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.89
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162739153) is N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)c1cn2ccccc2n1)C(=O)NN(CCC(N)=O)C(=O)[C@@H](F)Cl.

What is the InChIKey of N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is TYEQHOQFRGZMGV-BLLLJJGKSA-N. The full InChI is InChI=1S/C19H24ClFN6O4/c1-11(2)9-12(18(30)25-27(8-6-14(22)28)19(31)16(20)21)24-17(29)13-10-26-7-4-3-5-15(26)23-13/h3-5,7,10-12,16H,6,8-9H2,1-2H3,(H2,22,28)(H,24,29)(H,25,30)/t12-,16+/m0/s1.

What are the key properties of N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 454.89 g/mol, XLogP of 0.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[2-(3-amino-3-oxopropyl)-2-[(2S)-2-chloro-2-fluoroacetyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162739153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).