1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone

C24H25F3N2O6 — CID 167636752

IUPAC1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
SMILESCOc1cc(-c2cnn3cc(OC(C)(C)C(O)O)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F
InChIInChI=1S/C24H25F3N2O6/c1-24(2,22(31)32)35-14-4-5-17-15(10-28-29(17)11-14)12-8-19(33-3)21(20(9-12)34-23(26)27)18(30)7-13-6-16(13)25/h4-5,8-11,13,16,22-23,31-32H,6-7H2,1-3H3/t13-,16-/m0/s1
InChIKeyVMWDWEDEMNPQIN-BBRMVZONSA-N
MW494.47 g/mol
LogP4.01
Rot. Bonds10

About 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone

1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone (PubChem CID 167636752) has the molecular formula C24H25F3N2O6 and a molecular weight of 494.47 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
PubChem CID167636752
Molecular FormulaC24H25F3N2O6
Molecular Weight494.47 g/mol
Exact Mass494.17
IUPAC Name1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
SMILESCOc1cc(-c2cnn3cc(OC(C)(C)C(O)O)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F
InChIInChI=1S/C24H25F3N2O6/c1-24(2,22(31)32)35-14-4-5-17-15(10-28-29(17)11-14)12-8-19(33-3)21(20(9-12)34-23(26)27)18(30)7-13-6-16(13)25/h4-5,8-11,13,16,22-23,31-32H,6-7H2,1-3H3/t13-,16-/m0/s1
InChIKeyVMWDWEDEMNPQIN-BBRMVZONSA-N
XLogP4.01
TPSA102.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone?
The IUPAC name of 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone (CID 167636752) is 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone is COc1cc(-c2cnn3cc(OC(C)(C)C(O)O)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone?
The InChIKey is VMWDWEDEMNPQIN-BBRMVZONSA-N. The full InChI is InChI=1S/C24H25F3N2O6/c1-24(2,22(31)32)35-14-4-5-17-15(10-28-29(17)11-14)12-8-19(33-3)21(20(9-12)34-23(26)27)18(30)7-13-6-16(13)25/h4-5,8-11,13,16,22-23,31-32H,6-7H2,1-3H3/t13-,16-/m0/s1.
What are the key properties of 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone?
1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone has a molecular weight of 494.47 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-[6-(1,1-dihydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone is sourced from PubChem (CID 167636752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).