4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H25N7O3 — CID 163673367

About 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 163673367) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 163673367
• Molecular Formula: C26H25N7O3
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.20
• IUPAC Name: 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=CC(=O)N1CC(C(=O)N2CC3(C2)CN(c2ccc(-c4cc(OC)c5c(C#N)cnn5c4)cn2)C3)C1
• InChI: InChI=1S/C26H25N7O3/c1-3-23(34)30-10-20(11-30)25(35)32-15-26(16-32)13-31(14-26)22-5-4-17(8-28-22)18-6-21(36-2)24-19(7-27)9-29-33(24)12-18/h3-6,8-9,12,20H,1,10-11,13-16H2,2H3
• InChIKey: JEMQSZABKSZHQU-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 107.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 163673367) is 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(=O)N1CC(C(=O)N2CC3(C2)CN(c2ccc(-c4cc(OC)c5c(C#N)cnn5c4)cn2)C3)C1.

What is the InChIKey of 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is JEMQSZABKSZHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-3-23(34)30-10-20(11-30)25(35)32-15-26(16-32)13-31(14-26)22-5-4-17(8-28-22)18-6-21(36-2)24-19(7-27)9-29-33(24)12-18/h3-6,8-9,12,20H,1,10-11,13-16H2,2H3.

What are the key properties of 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 483.53 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-6-[6-[2-(1-prop-2-enoylazetidine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163673367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).