1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H26N6O — CID 121372953

IUPAC1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(N3C[C@@H](C)c4cc(-c5cnn(C)c5)ccc43)nn2C)C1
InChIInChI=1S/C22H26N6O/c1-14-11-28(21-6-5-16(9-18(14)21)17-10-23-25(3)12-17)22-19-13-27(15(2)29)8-7-20(19)26(4)24-22/h5-6,9-10,12,14H,7-8,11,13H2,1-4H3/t14-/m1/s1
InChIKeyIPUPJAQPBYDBDS-CQSZACIVSA-N
MW390.49 g/mol
LogP2.98
Rot. Bonds2

About 1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372953) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372953
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(N3C[C@@H](C)c4cc(-c5cnn(C)c5)ccc43)nn2C)C1
InChIInChI=1S/C22H26N6O/c1-14-11-28(21-6-5-16(9-18(14)21)17-10-23-25(3)12-17)22-19-13-27(15(2)29)8-7-20(19)26(4)24-22/h5-6,9-10,12,14H,7-8,11,13H2,1-4H3/t14-/m1/s1
InChIKeyIPUPJAQPBYDBDS-CQSZACIVSA-N
XLogP2.98
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372953) is 1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3C[C@@H](C)c4cc(-c5cnn(C)c5)ccc43)nn2C)C1.
What is the InChIKey of 1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is IPUPJAQPBYDBDS-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26N6O/c1-14-11-28(21-6-5-16(9-18(14)21)17-10-23-25(3)12-17)22-19-13-27(15(2)29)8-7-20(19)26(4)24-22/h5-6,9-10,12,14H,7-8,11,13H2,1-4H3/t14-/m1/s1.
What are the key properties of 1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 390.49 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).