2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile

C25H22ClN7O — CID 142478328

About 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile

2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile (PubChem CID 142478328) has the molecular formula C25H22ClN7O and a molecular weight of 471.95 g/mol. Its IUPAC name is 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
• PubChem CID: 142478328
• Molecular Formula: C25H22ClN7O
• Molecular Weight: 471.95 g/mol
• Exact Mass: 471.16
• IUPAC Name: 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile
• SMILES: CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(C2CC2)cn1
• InChI: InChI=1S/C25H22ClN7O/c1-14(25-29-12-16(13-30-25)15-3-4-15)31-21-10-23(34)33(2)22-6-5-17(9-18(21)22)32-20-7-8-28-24(26)19(20)11-27/h5-10,12-15,31H,3-4H2,1-2H3,(H,28,32)
• InChIKey: FHLDBZWADXDVDT-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 108.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.95
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?

The IUPAC name of 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile (CID 142478328) is 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile.

What is the SMILES notation for 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?

The canonical SMILES for 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile is CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(C2CC2)cn1.

What is the InChIKey of 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?

The InChIKey is FHLDBZWADXDVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN7O/c1-14(25-29-12-16(13-30-25)15-3-4-15)31-21-10-23(34)33(2)22-6-5-17(9-18(21)22)32-20-7-8-28-24(26)19(20)11-27/h5-10,12-15,31H,3-4H2,1-2H3,(H,28,32).

What are the key properties of 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile?

2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile has a molecular weight of 471.95 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[[4-[1-(5-cyclopropylpyrimidin-2-yl)ethylamino]-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 142478328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).