6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C32H34N8O3S — CID 167603712

About 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167603712) has the molecular formula C32H34N8O3S and a molecular weight of 610.74 g/mol. Its IUPAC name is 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 167603712
• Molecular Formula: C32H34N8O3S
• Molecular Weight: 610.74 g/mol
• Exact Mass: 610.25
• IUPAC Name: 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN=S2(=O)CCN(c3ccc(-c4cc(-c5cnn(CC(C)(C)O)c5)cn5ncc(C#N)c45)cn3)CC2)cc1
• InChI: InChI=1S/C32H34N8O3S/c1-32(2,41)22-39-20-27(19-35-39)25-14-29(31-26(15-33)18-36-40(31)21-25)24-6-9-30(34-17-24)38-10-12-44(42,13-11-38)37-16-23-4-7-28(43-3)8-5-23/h4-9,14,17-21,41H,10-13,16,22H2,1-3H3
• InChIKey: KTYLAJZJPMDEGB-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 133.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.74
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167603712) is 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN=S2(=O)CCN(c3ccc(-c4cc(-c5cnn(CC(C)(C)O)c5)cn5ncc(C#N)c45)cn3)CC2)cc1.

What is the InChIKey of 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is KTYLAJZJPMDEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O3S/c1-32(2,41)22-39-20-27(19-35-39)25-14-29(31-26(15-33)18-36-40(31)21-25)24-6-9-30(34-17-24)38-10-12-44(42,13-11-38)37-16-23-4-7-28(43-3)8-5-23/h4-9,14,17-21,41H,10-13,16,22H2,1-3H3.

What are the key properties of 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 610.74 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[6-[1-[(4-methoxyphenyl)methylimino]-1-oxo-1,4-thiazinan-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 167603712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).