3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one

C24H25N3O2 — CID 134582015

IUPAC3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCC1CC(=O)c2c([nH]c(-c3ccncc3OCC3CC3)c2Nc2ccccc2)C1
InChIInChI=1S/C24H25N3O2/c1-15-11-19-22(20(28)12-15)24(26-17-5-3-2-4-6-17)23(27-19)18-9-10-25-13-21(18)29-14-16-7-8-16/h2-6,9-10,13,15-16,26-27H,7-8,11-12,14H2,1H3
InChIKeyCJSZEORRZHQEMP-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.37
Rot. Bonds6

About 3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one

3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 134582015) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one
PubChem CID134582015
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one
SMILESCC1CC(=O)c2c([nH]c(-c3ccncc3OCC3CC3)c2Nc2ccccc2)C1
InChIInChI=1S/C24H25N3O2/c1-15-11-19-22(20(28)12-15)24(26-17-5-3-2-4-6-17)23(27-19)18-9-10-25-13-21(18)29-14-16-7-8-16/h2-6,9-10,13,15-16,26-27H,7-8,11-12,14H2,1H3
InChIKeyCJSZEORRZHQEMP-UHFFFAOYSA-N
XLogP5.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one (CID 134582015) is 3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one is CC1CC(=O)c2c([nH]c(-c3ccncc3OCC3CC3)c2Nc2ccccc2)C1.
What is the InChIKey of 3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is CJSZEORRZHQEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15-11-19-22(20(28)12-15)24(26-17-5-3-2-4-6-17)23(27-19)18-9-10-25-13-21(18)29-14-16-7-8-16/h2-6,9-10,13,15-16,26-27H,7-8,11-12,14H2,1H3.
What are the key properties of 3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one?
3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 387.48 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 134582015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).