(2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

C22H33N5O — CID 157168458

About (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157168458) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 157168458
• Molecular Formula: C22H33N5O
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.27
• IUPAC Name: (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
• SMILES: CC(C)C[C@H]1CN(c2ccc(C3CC3)c(C(=O)c3cccnc3N)n2)CCN1.[H][H].[H][H]
• InChI: InChI=1S/C22H29N5O.2H2/c1-14(2)12-16-13-27(11-10-24-16)19-8-7-17(15-5-6-15)20(26-19)21(28)18-4-3-9-25-22(18)23;;/h3-4,7-9,14-16,24H,5-6,10-13H2,1-2H3,(H2,23,25);2*1H/t16-;;/m0../s1
• InChIKey: ANEOORNLJLIFFV-SQKCAUCHSA-N
• XLogP: 3.48
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (CID 157168458) is (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is CC(C)C[C@H]1CN(c2ccc(C3CC3)c(C(=O)c3cccnc3N)n2)CCN1.[H][H].[H][H].

What is the InChIKey of (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is ANEOORNLJLIFFV-SQKCAUCHSA-N. The full InChI is InChI=1S/C22H29N5O.2H2/c1-14(2)12-16-13-27(11-10-24-16)19-8-7-17(15-5-6-15)20(26-19)21(28)18-4-3-9-25-22(18)23;;/h3-4,7-9,14-16,24H,5-6,10-13H2,1-2H3,(H2,23,25);2*1H/t16-;;/m0../s1.

What are the key properties of (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?

(2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 383.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157168458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).