4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H33N7O3 — CID 146667116

About 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667116) has the molecular formula C28H33N7O3 and a molecular weight of 515.62 g/mol. Its IUPAC name is 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146667116
• Molecular Formula: C28H33N7O3
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.26
• IUPAC Name: 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=CC(C)C(=O)N1CCN(c2ccc(-c3cc(OC[C@@H]4CN[C@H](C)CO4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C28H33N7O3/c1-4-19(2)28(36)34-9-7-33(8-10-34)26-6-5-21(13-31-26)25-11-23(16-35-27(25)22(12-29)14-32-35)38-18-24-15-30-20(3)17-37-24/h4-6,11,13-14,16,19-20,24,30H,1,7-10,15,17-18H2,2-3H3/t19?,20-,24+/m1/s1
• InChIKey: KBMVFZMPIQBZRN-LRXXCGAKSA-N
• XLogP: 2.49
• TPSA: 108.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667116) is 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(C)C(=O)N1CCN(c2ccc(-c3cc(OC[C@@H]4CN[C@H](C)CO4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is KBMVFZMPIQBZRN-LRXXCGAKSA-N. The full InChI is InChI=1S/C28H33N7O3/c1-4-19(2)28(36)34-9-7-33(8-10-34)26-6-5-21(13-31-26)25-11-23(16-35-27(25)22(12-29)14-32-35)38-18-24-15-30-20(3)17-37-24/h4-6,11,13-14,16,19-20,24,30H,1,7-10,15,17-18H2,2-3H3/t19?,20-,24+/m1/s1.

What are the key properties of 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 515.62 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).