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

C27H33ClN8O — CID 134370454

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

[4-(4-chlorophenyl)-1-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol (PubChem CID 134370454) has the molecular formula C27H33ClN8O and a molecular weight of 521.07 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: [4-(4-chlorophenyl)-1-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol
• PubChem CID: 134370454
• Molecular Formula: C27H33ClN8O
• Molecular Weight: 521.07 g/mol
• Exact Mass: 520.25
• IUPAC Name: [4-(4-chlorophenyl)-1-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol
• SMILES: CN1CCC(n2cc(Nc3nc4c(N5CCC(CO)(c6ccc(Cl)cc6)CC5)cccn4n3)cn2)CC1
• InChI: InChI=1S/C27H33ClN8O/c1-33-13-8-23(9-14-33)36-18-22(17-29-36)30-26-31-25-24(3-2-12-35(25)32-26)34-15-10-27(19-37,11-16-34)20-4-6-21(28)7-5-20/h2-7,12,17-18,23,37H,8-11,13-16,19H2,1H3,(H,30,32)
• InChIKey: ZSWYYQLZXYEIAA-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 86.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.07
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [4-(4-chlorophenyl)-1-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol (CID 134370454) is [4-(4-chlorophenyl)-1-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol.

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

The canonical SMILES for [4-(4-chlorophenyl)-1-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol is CN1CCC(n2cc(Nc3nc4c(N5CCC(CO)(c6ccc(Cl)cc6)CC5)cccn4n3)cn2)CC1.

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

The InChIKey is ZSWYYQLZXYEIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN8O/c1-33-13-8-23(9-14-33)36-18-22(17-29-36)30-26-31-25-24(3-2-12-35(25)32-26)34-15-10-27(19-37,11-16-34)20-4-6-21(28)7-5-20/h2-7,12,17-18,23,37H,8-11,13-16,19H2,1H3,(H,30,32).

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

[4-(4-chlorophenyl)-1-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol has a molecular weight of 521.07 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-chlorophenyl)-1-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 134370454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).