4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile

C21H23N7O — CID 67098658

About 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile

4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile (PubChem CID 67098658) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
• PubChem CID: 67098658
• Molecular Formula: C21H23N7O
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.20
• IUPAC Name: 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
• SMILES: Cc1cc(Nc2cc(C3CC3)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1
• InChI: InChI=1S/C21H23N7O/c1-13-10-20(28-27-13)25-19-11-16(15-5-6-15)17(12-22)21(26-19)24-8-9-29-18-4-3-7-23-14(18)2/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3,(H3,24,25,26,27,28)
• InChIKey: SNIQUFILIFMMPD-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 111.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?

The IUPAC name of 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile (CID 67098658) is 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile.

What is the SMILES notation for 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?

The canonical SMILES for 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile is Cc1cc(Nc2cc(C3CC3)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1.

What is the InChIKey of 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?

The InChIKey is SNIQUFILIFMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-10-20(28-27-13)25-19-11-16(15-5-6-15)17(12-22)21(26-19)24-8-9-29-18-4-3-7-23-14(18)2/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3,(H3,24,25,26,27,28).

What are the key properties of 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?

4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile has a molecular weight of 389.46 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 67098658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).