cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C22H27N7O2 — CID 171653692

About cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 171653692) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 171653692
• Molecular Formula: C22H27N7O2
• Molecular Weight: 421.51 g/mol
• Exact Mass: 421.22
• IUPAC Name: cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: C1CCCCCC1.COc1[nH]c(C)cc(=O)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
• InChI: InChI=1S/C15H13N7O2.C7H14/c1-8-3-11(23)14(15(19-8)24-2)10-4-12(22-21-10)20-13-7-17-9(5-16)6-18-13;1-2-4-6-7-5-3-1/h3-4,6-7H,1-2H3,(H,19,23)(H2,18,20,21,22);1-7H2
• InChIKey: LZTZCTYFDHJHTE-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 132.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.51
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 171653692) is cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is C1CCCCCC1.COc1[nH]c(C)cc(=O)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.

What is the InChIKey of cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is LZTZCTYFDHJHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O2.C7H14/c1-8-3-11(23)14(15(19-8)24-2)10-4-12(22-21-10)20-13-7-17-9(5-16)6-18-13;1-2-4-6-7-5-3-1/h3-4,6-7H,1-2H3,(H,19,23)(H2,18,20,21,22);1-7H2.

What are the key properties of cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 421.51 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cycloheptane;5-[[5-(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 171653692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).