N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide

C30H36F2N4O4 — CID 155349859

About N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide

N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide (PubChem CID 155349859) has the molecular formula C30H36F2N4O4 and a molecular weight of 554.64 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide
• PubChem CID: 155349859
• Molecular Formula: C30H36F2N4O4
• Molecular Weight: 554.64 g/mol
• Exact Mass: 554.27
• IUPAC Name: N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide
• SMILES: C=CC(F)OCc1cc(-c2cnn3cc(C(C)(C)CN4CCOCC4)ccc23)cc(OC)c1C(=O)N[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C30H36F2N4O4/c1-5-27(32)40-17-20-12-19(13-26(38-4)28(20)29(37)34-24-14-23(24)31)22-15-33-36-16-21(6-7-25(22)36)30(2,3)18-35-8-10-39-11-9-35/h5-7,12-13,15-16,23-24,27H,1,8-11,14,17-18H2,2-4H3,(H,34,37)/t23-,24+,27?/m0/s1
• InChIKey: JBUHTXQPQCFSBH-RWIDKHAYSA-N
• XLogP: 4.46
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.64
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide?

The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide (CID 155349859) is N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide.

What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide?

The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide is C=CC(F)OCc1cc(-c2cnn3cc(C(C)(C)CN4CCOCC4)ccc23)cc(OC)c1C(=O)N[C@@H]1C[C@@H]1F.

What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide?

The InChIKey is JBUHTXQPQCFSBH-RWIDKHAYSA-N. The full InChI is InChI=1S/C30H36F2N4O4/c1-5-27(32)40-17-20-12-19(13-26(38-4)28(20)29(37)34-24-14-23(24)31)22-15-33-36-16-21(6-7-25(22)36)30(2,3)18-35-8-10-39-11-9-35/h5-7,12-13,15-16,23-24,27H,1,8-11,14,17-18H2,2-4H3,(H,34,37)/t23-,24+,27?/m0/s1.

What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide?

N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide has a molecular weight of 554.64 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxymethyl)-6-methoxy-4-[6-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 155349859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).