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2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile

C22H21F2N3O2 — CID 155727545

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile
SMILESC=C(C)c1c(OC)cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc1OC(F)F
InChIInChI=1S/C22H21F2N3O2/c1-13(2)20-18(28-5)8-14(9-19(20)29-21(23)24)16-10-26-27-11-15(6-7-17(16)27)22(3,4)12-25/h6-11,21H,1H2,2-5H3
InChIKeyDCRMDWGTGAVHBY-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.45
Rot. Bonds6

About 2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile

2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile (PubChem CID 155727545) has the molecular formula C22H21F2N3O2 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile
PubChem CID155727545
Molecular FormulaC22H21F2N3O2
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile
SMILESC=C(C)c1c(OC)cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc1OC(F)F
InChIInChI=1S/C22H21F2N3O2/c1-13(2)20-18(28-5)8-14(9-19(20)29-21(23)24)16-10-26-27-11-15(6-7-17(16)27)22(3,4)12-25/h6-11,21H,1H2,2-5H3
InChIKeyDCRMDWGTGAVHBY-UHFFFAOYSA-N
XLogP5.45
TPSA59.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile (CID 155727545) is 2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile is C=C(C)c1c(OC)cc(-c2cnn3cc(C(C)(C)C#N)ccc23)cc1OC(F)F.
What is the InChIKey of 2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
The InChIKey is DCRMDWGTGAVHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2/c1-13(2)20-18(28-5)8-14(9-19(20)29-21(23)24)16-10-26-27-11-15(6-7-17(16)27)22(3,4)12-25/h6-11,21H,1H2,2-5H3.
What are the key properties of 2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile?
2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile has a molecular weight of 397.43 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(difluoromethoxy)-5-methoxy-4-prop-1-en-2-ylphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile is sourced from PubChem (CID 155727545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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