3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C27H33F2N7O2 — CID 121372821

IUPAC3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5C)c(C(F)F)cc43)nn2C2CCOCC2)C1
InChIInChI=1S/C27H33F2N7O2/c1-16-21(14-31-33(16)3)19-12-17-4-9-35(24(17)13-20(19)25(28)29)26-22-15-34(27(37)30-2)8-5-23(22)36(32-26)18-6-10-38-11-7-18/h12-14,18,25H,4-11,15H2,1-3H3,(H,30,37)
InChIKeyIVPGNFXBKZFEFI-UHFFFAOYSA-N
MW525.60 g/mol
LogP4.27
Rot. Bonds4

About 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121372821) has the molecular formula C27H33F2N7O2 and a molecular weight of 525.60 g/mol. Its IUPAC name is 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121372821
Molecular FormulaC27H33F2N7O2
Molecular Weight525.60 g/mol
Exact Mass525.27
IUPAC Name3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5C)c(C(F)F)cc43)nn2C2CCOCC2)C1
InChIInChI=1S/C27H33F2N7O2/c1-16-21(14-31-33(16)3)19-12-17-4-9-35(24(17)13-20(19)25(28)29)26-22-15-34(27(37)30-2)8-5-23(22)36(32-26)18-6-10-38-11-7-18/h12-14,18,25H,4-11,15H2,1-3H3,(H,30,37)
InChIKeyIVPGNFXBKZFEFI-UHFFFAOYSA-N
XLogP4.27
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Related Compounds

Gne-781
CID 132275066
Gne-049
CID 121373418
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
CID 121372947
CID 121372947
CID 121373316
CID 121373316
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
CID 121365519
CID 121365519
CID 121372830
CID 121372830
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
(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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 121372821) is 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5C)c(C(F)F)cc43)nn2C2CCOCC2)C1.
What is the InChIKey of 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is IVPGNFXBKZFEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N7O2/c1-16-21(14-31-33(16)3)19-12-17-4-9-35(24(17)13-20(19)25(28)29)26-22-15-34(27(37)30-2)8-5-23(22)36(32-26)18-6-10-38-11-7-18/h12-14,18,25H,4-11,15H2,1-3H3,(H,30,37).
What are the key properties of 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 525.60 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121372821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).