4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C49H41ClN16O3 — CID 165109348

About 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165109348) has the molecular formula C49H41ClN16O3 and a molecular weight of 937.43 g/mol. Its IUPAC name is 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165109348
• Molecular Formula: C49H41ClN16O3
• Molecular Weight: 937.43 g/mol
• Exact Mass: 936.32
• IUPAC Name: 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2Cl)CC1.C#CC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2OC)CC1
• InChI: InChI=1S/C25H22N8O2.C24H19ClN8O/c1-4-23(34)31-5-7-32(8-6-31)25-22(35-3)10-17(12-27-25)21-9-18(20-14-28-30(2)15-20)16-33-24(21)19(11-26)13-29-33;1-3-22(34)31-4-6-32(7-5-31)24-21(25)9-16(11-27-24)20-8-17(19-13-28-30(2)14-19)15-33-23(20)18(10-26)12-29-33/h1,9-10,12-16H,5-8H2,2-3H3;1,8-9,11-15H,4-7H2,2H3
• InChIKey: ZRNCJCKNCOADHI-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 199.93 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.43
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165109348) is 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2Cl)CC1.C#CC(=O)N1CCN(c2ncc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2OC)CC1.

What is the InChIKey of 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ZRNCJCKNCOADHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2.C24H19ClN8O/c1-4-23(34)31-5-7-32(8-6-31)25-22(35-3)10-17(12-27-25)21-9-18(20-14-28-30(2)15-20)16-33-24(21)19(11-26)13-29-33;1-3-22(34)31-4-6-32(7-5-31)24-21(25)9-16(11-27-24)20-8-17(19-13-28-30(2)14-19)15-33-23(20)18(10-26)12-29-33/h1,9-10,12-16H,5-8H2,2-3H3;1,8-9,11-15H,4-7H2,2H3.

What are the key properties of 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 937.43 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-chloro-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-methoxy-6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165109348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).