6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H34N10 — CID 170672683

About 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 170672683) has the molecular formula C30H34N10 and a molecular weight of 534.67 g/mol. Its IUPAC name is 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 170672683
• Molecular Formula: C30H34N10
• Molecular Weight: 534.67 g/mol
• Exact Mass: 534.30
• IUPAC Name: 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1c(-c2cc(NC(C)c3ccccn3)c3c(C#N)cnn3c2)cnn1C1CCN(C2CN(C#N)C2(C)C)CC1
• InChI: InChI=1S/C30H34N10/c1-20(26-7-5-6-10-33-26)36-27-13-22(17-39-29(27)23(14-31)15-34-39)25-16-35-40(21(25)2)24-8-11-37(12-9-24)28-18-38(19-32)30(28,3)4/h5-7,10,13,15-17,20,24,28,36H,8-9,11-12,18H2,1-4H3
• InChIKey: JYXLNTFDXAVZMU-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 114.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.67
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 170672683) is 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(NC(C)c3ccccn3)c3c(C#N)cnn3c2)cnn1C1CCN(C2CN(C#N)C2(C)C)CC1.

What is the InChIKey of 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is JYXLNTFDXAVZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N10/c1-20(26-7-5-6-10-33-26)36-27-13-22(17-39-29(27)23(14-31)15-34-39)25-16-35-40(21(25)2)24-8-11-37(12-9-24)28-18-38(19-32)30(28,3)4/h5-7,10,13,15-17,20,24,28,36H,8-9,11-12,18H2,1-4H3.

What are the key properties of 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 534.67 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[1-(1-cyano-2,2-dimethylazetidin-3-yl)piperidin-4-yl]-5-methylpyrazol-4-yl]-4-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 170672683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).