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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone

C72H73F9N6O16 — CID 167636750

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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-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.COc1cc(-c2cnn3cc(OC(C)(C)C=O)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F.COc1cc(-c2cnn3cc(OC(C)(C)CO)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F
InChIInChI=1S/C24H25F3N2O6.C24H25F3N2O5.C24H23F3N2O5/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;2*1-24(2,12-30)34-15-4-5-18-16(10-28-29(18)11-15)13-8-20(32-3)22(21(9-13)33-23(26)27)19(31)7-14-6-17(14)25/h4-5,8-11,13,16,22-23,31-32H,6-7H2,1-3H3;4-5,8-11,14,17,23,30H,6-7,12H2,1-3H3;4-5,8-12,14,17,23H,6-7H2,1-3H3/t13-,16-;2*14-,17-/m000/s1
InChIKeyOOYXPCRDSCPMBW-ZKBAOMDCSA-N
MW1449.38 g/mol
LogP13.60
Rot. Bonds30

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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone (PubChem CID 167636750) has the molecular formula C72H73F9N6O16 and a molecular weight of 1449.38 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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
PubChem CID167636750
Molecular FormulaC72H73F9N6O16
Molecular Weight1449.38 g/mol
Exact Mass1448.49
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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-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.COc1cc(-c2cnn3cc(OC(C)(C)C=O)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F.COc1cc(-c2cnn3cc(OC(C)(C)CO)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F
InChIInChI=1S/C24H25F3N2O6.C24H25F3N2O5.C24H23F3N2O5/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;2*1-24(2,12-30)34-15-4-5-18-16(10-28-29(18)11-15)13-8-20(32-3)22(21(9-13)33-23(26)27)19(31)7-14-6-17(14)25/h4-5,8-11,13,16,22-23,31-32H,6-7H2,1-3H3;4-5,8-11,14,17,23,30H,6-7,12H2,1-3H3;4-5,8-12,14,17,23H,6-7H2,1-3H3/t13-,16-;2*14-,17-/m000/s1
InChIKeyOOYXPCRDSCPMBW-ZKBAOMDCSA-N
XLogP13.60
TPSA263.94 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001449.38
LogP ≤ 513.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone with MolForge

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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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone (CID 167636750) 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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-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.COc1cc(-c2cnn3cc(OC(C)(C)C=O)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F.COc1cc(-c2cnn3cc(OC(C)(C)CO)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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone?
The InChIKey is OOYXPCRDSCPMBW-ZKBAOMDCSA-N. The full InChI is InChI=1S/C24H25F3N2O6.C24H25F3N2O5.C24H23F3N2O5/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;2*1-24(2,12-30)34-15-4-5-18-16(10-28-29(18)11-15)13-8-20(32-3)22(21(9-13)33-23(26)27)19(31)7-14-6-17(14)25/h4-5,8-11,13,16,22-23,31-32H,6-7H2,1-3H3;4-5,8-11,14,17,23,30H,6-7,12H2,1-3H3;4-5,8-12,14,17,23H,6-7H2,1-3H3/t13-,16-;2*14-,17-/m000/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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone has a molecular weight of 1449.38 g/mol, XLogP of 13.60, 30 rotatable bonds, 3 hydrogen bond donors, and 22 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;2-[3-[3-(difluoromethoxy)-4-[2-[(1R,2S)-2-fluorocyclopropyl]acetyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropanal;1-[2-(difluoromethoxy)-4-[6-(1-hydroxy-2-methylpropan-2-yl)oxypyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone is sourced from PubChem (CID 167636750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).