N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide

C24H20ClN7O2 — CID 158709193

About N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide

N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide (PubChem CID 158709193) has the molecular formula C24H20ClN7O2 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide.

Molecular Properties

• Compound Name: N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide
• PubChem CID: 158709193
• Molecular Formula: C24H20ClN7O2
• Molecular Weight: 473.92 g/mol
• Exact Mass: 473.14
• IUPAC Name: N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide
• SMILES: C=C(C)C(=O)Nc1ccc(Cc2nnc(-c3c[nH]c4ncc(-c5cnn(C)c5)cc34)o2)c(Cl)c1
• InChI: InChI=1S/C24H20ClN7O2/c1-13(2)23(33)29-17-5-4-14(20(25)8-17)7-21-30-31-24(34-21)19-11-27-22-18(19)6-15(9-26-22)16-10-28-32(3)12-16/h4-6,8-12H,1,7H2,2-3H3,(H,26,27)(H,29,33)
• InChIKey: IIMTYFUSGJNXHZ-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 114.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.92
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide?

The IUPAC name of N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide (CID 158709193) is N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide.

What is the SMILES notation for N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide?

The canonical SMILES for N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(Cc2nnc(-c3c[nH]c4ncc(-c5cnn(C)c5)cc34)o2)c(Cl)c1.

What is the InChIKey of N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide?

The InChIKey is IIMTYFUSGJNXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O2/c1-13(2)23(33)29-17-5-4-14(20(25)8-17)7-21-30-31-24(34-21)19-11-27-22-18(19)6-15(9-26-22)16-10-28-32(3)12-16/h4-6,8-12H,1,7H2,2-3H3,(H,26,27)(H,29,33).

What are the key properties of N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide?

N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide has a molecular weight of 473.92 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 158709193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).