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

C23H27FN6O2 — CID 121376903

IUPAC1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2[C@@H]2CCOC2)C1
InChIInChI=1S/C23H27FN6O2/c1-14-18(11-25-28(14)3)16-4-5-21(20(24)10-16)26-23-19-12-29(15(2)31)8-6-22(19)30(27-23)17-7-9-32-13-17/h4-5,10-11,17H,6-9,12-13H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyOKSDXPFFQRYDQI-QGZVFWFLSA-N
MW438.51 g/mol
LogP3.34
Rot. Bonds4

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

1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121376903) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121376903
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC Name1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2[C@@H]2CCOC2)C1
InChIInChI=1S/C23H27FN6O2/c1-14-18(11-25-28(14)3)16-4-5-21(20(24)10-16)26-23-19-12-29(15(2)31)8-6-22(19)30(27-23)17-7-9-32-13-17/h4-5,10-11,17H,6-9,12-13H2,1-3H3,(H,26,27)/t17-/m1/s1
InChIKeyOKSDXPFFQRYDQI-QGZVFWFLSA-N
XLogP3.34
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-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
Pyrrolidinyl urea derivative 3
CID 71040977
US10323022, Example 441
CID 71041443
1-(1-(6-(1-(2-ethoxyethyl)-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-fluoroindoline
CID 76311110
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-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372914
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
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-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373156

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121376903) is 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2[C@@H]2CCOC2)C1.
What is the InChIKey of 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is OKSDXPFFQRYDQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-14-18(11-25-28(14)3)16-4-5-21(20(24)10-16)26-23-19-12-29(15(2)31)8-6-22(19)30(27-23)17-7-9-32-13-17/h4-5,10-11,17H,6-9,12-13H2,1-3H3,(H,26,27)/t17-/m1/s1.
What are the key properties of 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 438.51 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121376903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).