4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide

C17H23ClN6O2 — CID 125438765

About 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide

4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 125438765) has the molecular formula C17H23ClN6O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide
• PubChem CID: 125438765
• Molecular Formula: C17H23ClN6O2
• Molecular Weight: 378.86 g/mol
• Exact Mass: 378.16
• IUPAC Name: 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide
• SMILES: COC[C@@H](NC(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1ccnn1C
• InChI: InChI=1S/C17H23ClN6O2/c1-22-15(5-6-20-22)14(12-26-2)21-17(25)24-9-7-23(8-10-24)16-4-3-13(18)11-19-16/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,25)/t14-/m1/s1
• InChIKey: UOXHKIYZQSHPKV-CQSZACIVSA-N
• XLogP: 1.69
• TPSA: 75.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.86
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide?

The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide (CID 125438765) is 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide?

The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide is COC[C@@H](NC(=O)N1CCN(c2ccc(Cl)cn2)CC1)c1ccnn1C.

What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide?

The InChIKey is UOXHKIYZQSHPKV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23ClN6O2/c1-22-15(5-6-20-22)14(12-26-2)21-17(25)24-9-7-23(8-10-24)16-4-3-13(18)11-19-16/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,25)/t14-/m1/s1.

What are the key properties of 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide?

4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-2-pyridinyl)-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 125438765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).