4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H34N6S — CID 155301170

About 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155301170) has the molecular formula C30H34N6S and a molecular weight of 510.71 g/mol. Its IUPAC name is 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 155301170
• Molecular Formula: C30H34N6S
• Molecular Weight: 510.71 g/mol
• Exact Mass: 510.26
• IUPAC Name: 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCc1ccc(CC2CCN(c3ccc(-c4cc(SCC(C)C)cn5ncc(C#N)c45)cn3)CC2)cn1
• InChI: InChI=1S/C30H34N6S/c1-4-26-7-5-23(16-32-26)13-22-9-11-35(12-10-22)29-8-6-24(17-33-29)28-14-27(37-20-21(2)3)19-36-30(28)25(15-31)18-34-36/h5-8,14,16-19,21-22H,4,9-13,20H2,1-3H3
• InChIKey: UPRHXGZXMZNWGR-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 70.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.71
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155301170) is 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CCc1ccc(CC2CCN(c3ccc(-c4cc(SCC(C)C)cn5ncc(C#N)c45)cn3)CC2)cn1.

What is the InChIKey of 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is UPRHXGZXMZNWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6S/c1-4-26-7-5-23(16-32-26)13-22-9-11-35(12-10-22)29-8-6-24(17-33-29)28-14-27(37-20-21(2)3)19-36-30(28)25(15-31)18-34-36/h5-8,14,16-19,21-22H,4,9-13,20H2,1-3H3.

What are the key properties of 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 510.71 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[(6-ethyl-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-methylpropylsulfanyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155301170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).