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

C24H27F3N6O2 — CID 121372620

IUPAC1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)F)cc3F)nn2C2CCOCC2)C1
InChIInChI=1S/C24H27F3N6O2/c1-14(34)32-8-5-21-18(13-32)24(30-33(21)16-6-9-35-10-7-16)28-20-4-3-15(11-19(20)25)17-12-31(2)29-22(17)23(26)27/h3-4,11-12,16,23H,5-10,13H2,1-2H3,(H,28,30)
InChIKeyYFWVBSYHOVKLAG-UHFFFAOYSA-N
MW488.51 g/mol
LogP4.36
Rot. Bonds5

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

1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372620) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372620
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC Name1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)F)cc3F)nn2C2CCOCC2)C1
InChIInChI=1S/C24H27F3N6O2/c1-14(34)32-8-5-21-18(13-32)24(30-33(21)16-6-9-35-10-7-16)28-20-4-3-15(11-19(20)25)17-12-31(2)29-22(17)23(26)27/h3-4,11-12,16,23H,5-10,13H2,1-2H3,(H,28,30)
InChIKeyYFWVBSYHOVKLAG-UHFFFAOYSA-N
XLogP4.36
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Gne-781
CID 132275066
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
Gne-049
CID 121373418
CID 121372947
CID 121372947
CID 130363544
CID 130363544
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
2-(4-(6-(4-(6-fluoroindolin-1-yl)piperidin-1-yl)pyridazin-3-yl)-1H-pyrazol-1-yl)-N-methylacetamide
CID 76325611
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
CID 121365519
CID 121365519
1-[1-(cyclopropylmethyl)-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372990
1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373027

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372620) is 1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)F)cc3F)nn2C2CCOCC2)C1.
What is the InChIKey of 1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is YFWVBSYHOVKLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c1-14(34)32-8-5-21-18(13-32)24(30-33(21)16-6-9-35-10-7-16)28-20-4-3-15(11-19(20)25)17-12-31(2)29-22(17)23(26)27/h3-4,11-12,16,23H,5-10,13H2,1-2H3,(H,28,30).
What are the key properties of 1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 488.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).