3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C42H48F3N13O3 — CID 145090608

IUPAC3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CCC(F)(F)F)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CCC(N)=O)C1
InChIInChI=1S/C21H23F3N6O.C21H25N7O2/c1-14(31)29-9-7-19-18(13-29)20(27-30(19)10-8-21(22,23)24)26-17-5-3-15(4-6-17)16-11-25-28(2)12-16;1-14(29)27-9-7-19-18(13-27)21(25-28(19)10-8-20(22)30)24-17-5-3-15(4-6-17)16-11-23-26(2)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,27);3-6,11-12H,7-10,13H2,1-2H3,(H2,22,30)(H,24,25)
InChIKeyNTDJQSIDQCFCJA-UHFFFAOYSA-N
MW839.93 g/mol
LogP5.69
Rot. Bonds11

About 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 145090608) has the molecular formula C42H48F3N13O3 and a molecular weight of 839.93 g/mol. Its IUPAC name is 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID145090608
Molecular FormulaC42H48F3N13O3
Molecular Weight839.93 g/mol
Exact Mass839.40
IUPAC Name3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CCC(F)(F)F)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CCC(N)=O)C1
InChIInChI=1S/C21H23F3N6O.C21H25N7O2/c1-14(31)29-9-7-19-18(13-29)20(27-30(19)10-8-21(22,23)24)26-17-5-3-15(4-6-17)16-11-25-28(2)12-16;1-14(29)27-9-7-19-18(13-27)21(25-28(19)10-8-20(22)30)24-17-5-3-15(4-6-17)16-11-23-26(2)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,27);3-6,11-12H,7-10,13H2,1-2H3,(H2,22,30)(H,24,25)
InChIKeyNTDJQSIDQCFCJA-UHFFFAOYSA-N
XLogP5.69
TPSA179.05 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500839.93
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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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-[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-[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
US9763922, Example 274
CID 121373583
US9763922, Example 254
CID 121372610
US9763922, Example 243
CID 121372620
US9763922, Example 34
CID 121372683
US9763922, Example 36
CID 121372690
US9763922, Example 303
CID 121372889
US9763922, Example 298
CID 121372890
US9763922, Example 304
CID 121372891

Frequently Asked Questions

What is the IUPAC name of 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 145090608) is 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CCC(F)(F)F)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CCC(N)=O)C1.
What is the InChIKey of 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is NTDJQSIDQCFCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O.C21H25N7O2/c1-14(31)29-9-7-19-18(13-29)20(27-30(19)10-8-21(22,23)24)26-17-5-3-15(4-6-17)16-11-25-28(2)12-16;1-14(29)27-9-7-19-18(13-27)21(25-28(19)10-8-20(22)30)24-17-5-3-15(4-6-17)16-11-23-26(2)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,27);3-6,11-12H,7-10,13H2,1-2H3,(H2,22,30)(H,24,25).
What are the key properties of 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 839.93 g/mol, XLogP of 5.69, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-acetyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 145090608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).