4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile

C29H32N10 — CID 169006453

About 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile

4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile (PubChem CID 169006453) has the molecular formula C29H32N10 and a molecular weight of 520.65 g/mol. Its IUPAC name is 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile
• PubChem CID: 169006453
• Molecular Formula: C29H32N10
• Molecular Weight: 520.65 g/mol
• Exact Mass: 520.28
• IUPAC Name: 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile
• SMILES: CN1CCC(n2cc(Nc3nc4cccc(-c5ccc6nn(C7CCC(C#N)CC7)cc6c5)n4n3)cn2)CC1
• InChI: InChI=1S/C29H32N10/c1-36-13-11-25(12-14-36)37-19-23(17-31-37)32-29-33-28-4-2-3-27(39(28)35-29)21-7-10-26-22(15-21)18-38(34-26)24-8-5-20(16-30)6-9-24/h2-4,7,10,15,17-20,24-25H,5-6,8-9,11-14H2,1H3,(H,32,35)
• InChIKey: OVDRFZOLYIBHGQ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 104.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.65
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile?

The IUPAC name of 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile (CID 169006453) is 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile.

What is the SMILES notation for 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile?

The canonical SMILES for 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile is CN1CCC(n2cc(Nc3nc4cccc(-c5ccc6nn(C7CCC(C#N)CC7)cc6c5)n4n3)cn2)CC1.

What is the InChIKey of 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile?

The InChIKey is OVDRFZOLYIBHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N10/c1-36-13-11-25(12-14-36)37-19-23(17-31-37)32-29-33-28-4-2-3-27(39(28)35-29)21-7-10-26-22(15-21)18-38(34-26)24-8-5-20(16-30)6-9-24/h2-4,7,10,15,17-20,24-25H,5-6,8-9,11-14H2,1H3,(H,32,35).

What are the key properties of 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile?

4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile has a molecular weight of 520.65 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 169006453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).