[1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol

C33H37ClN8O — CID 134362991

About [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol

[1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol (PubChem CID 134362991) has the molecular formula C33H37ClN8O and a molecular weight of 597.17 g/mol. Its IUPAC name is [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol
• PubChem CID: 134362991
• Molecular Formula: C33H37ClN8O
• Molecular Weight: 597.17 g/mol
• Exact Mass: 596.28
• IUPAC Name: [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol
• SMILES: OCC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4cnn(C5CCN(Cc6ccccc6)CC5)c4)nc23)CC1
• InChI: InChI=1S/C33H37ClN8O/c34-27-10-8-26(9-11-27)33(24-43)14-19-40(20-15-33)30-7-4-16-41-31(30)37-32(38-41)36-28-21-35-42(23-28)29-12-17-39(18-13-29)22-25-5-2-1-3-6-25/h1-11,16,21,23,29,43H,12-15,17-20,22,24H2,(H,36,38)
• InChIKey: RZYFMSNAMSGGIW-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 86.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.17
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol?

The IUPAC name of [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol (CID 134362991) is [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol.

What is the SMILES notation for [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol?

The canonical SMILES for [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol is OCC1(c2ccc(Cl)cc2)CCN(c2cccn3nc(Nc4cnn(C5CCN(Cc6ccccc6)CC5)c4)nc23)CC1.

What is the InChIKey of [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol?

The InChIKey is RZYFMSNAMSGGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClN8O/c34-27-10-8-26(9-11-27)33(24-43)14-19-40(20-15-33)30-7-4-16-41-31(30)37-32(38-41)36-28-21-35-42(23-28)29-12-17-39(18-13-29)22-25-5-2-1-3-6-25/h1-11,16,21,23,29,43H,12-15,17-20,22,24H2,(H,36,38).

What are the key properties of [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol?

[1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol has a molecular weight of 597.17 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[[1-(1-benzylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-chlorophenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 134362991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).