3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile

C25H24N10O — CID 169006455

About 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile

3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 169006455) has the molecular formula C25H24N10O and a molecular weight of 480.54 g/mol. Its IUPAC name is 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile.

Molecular Properties

• Compound Name: 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile
• PubChem CID: 169006455
• Molecular Formula: C25H24N10O
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.21
• IUPAC Name: 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile
• SMILES: Cn1cc(Nc2nc3cccc(-c4ccc5nn(C6CCN(C(=O)CC#N)CC6)cc5c4)n3n2)cn1
• InChI: InChI=1S/C25H24N10O/c1-32-16-19(14-27-32)28-25-29-23-4-2-3-22(35(23)31-25)17-5-6-21-18(13-17)15-34(30-21)20-8-11-33(12-9-20)24(36)7-10-26/h2-6,13-16,20H,7-9,11-12H2,1H3,(H,28,31)
• InChIKey: NSIALOMGTJEADZ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 121.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile?

The IUPAC name of 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile (CID 169006455) is 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile.

What is the SMILES notation for 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile?

The canonical SMILES for 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile is Cn1cc(Nc2nc3cccc(-c4ccc5nn(C6CCN(C(=O)CC#N)CC6)cc5c4)n3n2)cn1.

What is the InChIKey of 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile?

The InChIKey is NSIALOMGTJEADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N10O/c1-32-16-19(14-27-32)28-25-29-23-4-2-3-22(35(23)31-25)17-5-6-21-18(13-17)15-34(30-21)20-8-11-33(12-9-20)24(36)7-10-26/h2-6,13-16,20H,7-9,11-12H2,1H3,(H,28,31).

What are the key properties of 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile?

3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 480.54 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]indazol-2-yl]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 169006455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).