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

C24H23F3N2O5 — CID 167568332

IUPAC1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
SMILESCOc1cc(-c2cnn3cc(C4COCCO4)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F
InChIInChI=1S/C24H23F3N2O5/c1-31-20-8-14(9-21(34-24(26)27)23(20)19(30)7-15-6-17(15)25)16-10-28-29-11-13(2-3-18(16)29)22-12-32-4-5-33-22/h2-3,8-11,15,17,22,24H,4-7,12H2,1H3/t15-,17-,22?/m0/s1
InChIKeyFOMMLYKOQOLSIS-TWMUNHRGSA-N
MW476.45 g/mol
LogP4.63
Rot. Bonds8

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

1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone (PubChem CID 167568332) has the molecular formula C24H23F3N2O5 and a molecular weight of 476.45 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
PubChem CID167568332
Molecular FormulaC24H23F3N2O5
Molecular Weight476.45 g/mol
Exact Mass476.16
IUPAC Name1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
SMILESCOc1cc(-c2cnn3cc(C4COCCO4)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F
InChIInChI=1S/C24H23F3N2O5/c1-31-20-8-14(9-21(34-24(26)27)23(20)19(30)7-15-6-17(15)25)16-10-28-29-11-13(2-3-18(16)29)22-12-32-4-5-33-22/h2-3,8-11,15,17,22,24H,4-7,12H2,1H3/t15-,17-,22?/m0/s1
InChIKeyFOMMLYKOQOLSIS-TWMUNHRGSA-N
XLogP4.63
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[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-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone?
The IUPAC name of 1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone (CID 167568332) is 1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[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-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone is COc1cc(-c2cnn3cc(C4COCCO4)ccc23)cc(OC(F)F)c1C(=O)C[C@@H]1C[C@@H]1F.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone?
The InChIKey is FOMMLYKOQOLSIS-TWMUNHRGSA-N. The full InChI is InChI=1S/C24H23F3N2O5/c1-31-20-8-14(9-21(34-24(26)27)23(20)19(30)7-15-6-17(15)25)16-10-28-29-11-13(2-3-18(16)29)22-12-32-4-5-33-22/h2-3,8-11,15,17,22,24H,4-7,12H2,1H3/t15-,17-,22?/m0/s1.
What are the key properties of 1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone?
1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone has a molecular weight of 476.45 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-[6-(1,4-dioxan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone is sourced from PubChem (CID 167568332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).