N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide

C24H25F2N3O4 — CID 155349758

About N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide

N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide (PubChem CID 155349758) has the molecular formula C24H25F2N3O4 and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide
• PubChem CID: 155349758
• Molecular Formula: C24H25F2N3O4
• Molecular Weight: 457.48 g/mol
• Exact Mass: 457.18
• IUPAC Name: N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide
• SMILES: C=CC(F)Oc1cc(-c2cnn3cc(C(C)(C)O)ccc23)cc(OC)c1C(=O)N[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C24H25F2N3O4/c1-5-21(26)33-20-9-13(8-19(32-4)22(20)23(30)28-17-10-16(17)25)15-11-27-29-12-14(24(2,3)31)6-7-18(15)29/h5-9,11-12,16-17,21,31H,1,10H2,2-4H3,(H,28,30)/t16-,17+,21?/m0/s1
• InChIKey: RWGQVSGIYCOJKQ-NXRUOVBSSA-N
• XLogP: 3.94
• TPSA: 85.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.48
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide?

The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide (CID 155349758) is N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide.

What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide?

The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide is C=CC(F)Oc1cc(-c2cnn3cc(C(C)(C)O)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-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide?

The InChIKey is RWGQVSGIYCOJKQ-NXRUOVBSSA-N. The full InChI is InChI=1S/C24H25F2N3O4/c1-5-21(26)33-20-9-13(8-19(32-4)22(20)23(30)28-17-10-16(17)25)15-11-27-29-12-14(24(2,3)31)6-7-18(15)29/h5-9,11-12,16-17,21,31H,1,10H2,2-4H3,(H,28,30)/t16-,17+,21?/m0/s1.

What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide?

N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide has a molecular weight of 457.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-fluorocyclopropyl]-2-(1-fluoroprop-2-enoxy)-4-[6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxybenzamide is sourced from PubChem (CID 155349758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).