1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H23F3N6O2 — CID 121365546

IUPAC1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cn[nH]c4C(F)F)cc3F)nn2C2CCOC2)C1
InChIInChI=1S/C22H23F3N6O2/c1-12(32)30-6-4-19-16(10-30)22(29-31(19)14-5-7-33-11-14)27-18-3-2-13(8-17(18)23)15-9-26-28-20(15)21(24)25/h2-3,8-9,14,21H,4-7,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyNOFVDKZXSAXVOV-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.96
Rot. Bonds5

About 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121365546) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121365546
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC Name1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cn[nH]c4C(F)F)cc3F)nn2C2CCOC2)C1
InChIInChI=1S/C22H23F3N6O2/c1-12(32)30-6-4-19-16(10-30)22(29-31(19)14-5-7-33-11-14)27-18-3-2-13(8-17(18)23)15-9-26-28-20(15)21(24)25/h2-3,8-9,14,21H,4-7,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyNOFVDKZXSAXVOV-UHFFFAOYSA-N
XLogP3.96
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1-[3-[[2-Fluoranyl-4-(1-Methylpyrazol-4-Yl)phenyl]amino]-1-[(3~{s})-Oxolan-3-Yl]-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-5-Yl]ethanone
CID 121372887
1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 121372939
1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
CID 132451787
1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121365442
1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373027
1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373032
1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373154
1-[1-(cyclopropylmethyl)-3-[3-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373164
(S)-1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-tetrahydrofuran-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373599
1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376807
1-[3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376818
1-[3-[[(3S,4S)-4-fluorooxolan-3-yl]amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 73506287

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121365546) is 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cn[nH]c4C(F)F)cc3F)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is NOFVDKZXSAXVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-12(32)30-6-4-19-16(10-30)22(29-31(19)14-5-7-33-11-14)27-18-3-2-13(8-17(18)23)15-9-26-28-20(15)21(24)25/h2-3,8-9,14,21H,4-7,10-11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 460.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121365546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).