5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C21H18N6O — CID 164586983

About 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 164586983) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
• PubChem CID: 164586983
• Molecular Formula: C21H18N6O
• Molecular Weight: 370.42 g/mol
• Exact Mass: 370.15
• IUPAC Name: 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
• SMILES: Cn1cc(-n2ncc3cnc(OC4CCCc5cc(C#N)ccc54)cc32)cn1
• InChI: InChI=1S/C21H18N6O/c1-26-13-17(12-24-26)27-19-8-21(23-10-16(19)11-25-27)28-20-4-2-3-15-7-14(9-22)5-6-18(15)20/h5-8,10-13,20H,2-4H2,1H3
• InChIKey: MSIRSLZAGPSPFL-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 81.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.42
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?

The IUPAC name of 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 164586983) is 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

What is the SMILES notation for 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?

The canonical SMILES for 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is Cn1cc(-n2ncc3cnc(OC4CCCc5cc(C#N)ccc54)cc32)cn1.

What is the InChIKey of 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?

The InChIKey is MSIRSLZAGPSPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-26-13-17(12-24-26)27-19-8-21(23-10-16(19)11-25-27)28-20-4-2-3-15-7-14(9-22)5-6-18(15)20/h5-8,10-13,20H,2-4H2,1H3.

What are the key properties of 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?

5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 370.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 164586983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).