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

C28H33N7O3 — CID 146667886

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

6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667886) has the molecular formula C28H33N7O3 and a molecular weight of 515.62 g/mol. Its IUPAC name is 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146667886
• Molecular Formula: C28H33N7O3
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.26
• IUPAC Name: 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=C(C)C(=O)N1CCN(c2ccc(-c3cc(OC[C@@H]4CNC(C)(C)CO4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C28H33N7O3/c1-19(2)27(36)34-9-7-33(8-10-34)25-6-5-20(13-30-25)24-11-22(16-35-26(24)21(12-29)14-32-35)37-17-23-15-31-28(3,4)18-38-23/h5-6,11,13-14,16,23,31H,1,7-10,15,17-18H2,2-4H3/t23-/m0/s1
• InChIKey: ZMCPOHJTPMQXFC-QHCPKHFHSA-N
• XLogP: 2.64
• TPSA: 108.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667886) is 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

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

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

The InChIKey is ZMCPOHJTPMQXFC-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H33N7O3/c1-19(2)27(36)34-9-7-33(8-10-34)25-6-5-20(13-30-25)24-11-22(16-35-26(24)21(12-29)14-32-35)37-17-23-15-31-28(3,4)18-38-23/h5-6,11,13-14,16,23,31H,1,7-10,15,17-18H2,2-4H3/t23-/m0/s1.

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

6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 515.62 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(2S)-5,5-dimethylmorpholin-2-yl]methoxy]-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).