N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C24H20FN9O — CID 163280966

About N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 163280966) has the molecular formula C24H20FN9O and a molecular weight of 469.48 g/mol. Its IUPAC name is N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 163280966
• Molecular Formula: C24H20FN9O
• Molecular Weight: 469.48 g/mol
• Exact Mass: 469.18
• IUPAC Name: N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2ccn3ccnc3c2)c1
• InChI: InChI=1S/C24H20FN9O/c1-3-22(35)29-16-4-5-19(25)20(11-16)31-23-18(15-6-8-34-9-7-26-21(34)10-15)13-27-24(32-23)30-17-12-28-33(2)14-17/h3-14H,1H2,2H3,(H,29,35)(H2,27,30,31,32)
• InChIKey: LBYJJULEIZFLBZ-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 114.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.48
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
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 N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 163280966) is N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(F)c(Nc2nc(Nc3cnn(C)c3)ncc2-c2ccn3ccnc3c2)c1.

What is the InChIKey of N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The InChIKey is LBYJJULEIZFLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN9O/c1-3-22(35)29-16-4-5-19(25)20(11-16)31-23-18(15-6-8-34-9-7-26-21(34)10-15)13-27-24(32-23)30-17-12-28-33(2)14-17/h3-14H,1H2,2H3,(H,29,35)(H2,27,30,31,32).

What are the key properties of N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 469.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-3-[[5-imidazo[1,2-a]pyridin-7-yl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 163280966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).