1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one

C22H25N3O — CID 123534727

IUPAC1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one
SMILESCc1ccc2c(c1)c1c(n2CCc2ccc(=O)n(C3CC3)c2)CCNC1
InChIInChI=1S/C22H25N3O/c1-15-2-6-20-18(12-15)19-13-23-10-8-21(19)24(20)11-9-16-3-7-22(26)25(14-16)17-4-5-17/h2-3,6-7,12,14,17,23H,4-5,8-11,13H2,1H3
InChIKeyWGNGRHQHUVCQFM-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.33
Rot. Bonds4

About 1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one

1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one (PubChem CID 123534727) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one
PubChem CID123534727
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one
SMILESCc1ccc2c(c1)c1c(n2CCc2ccc(=O)n(C3CC3)c2)CCNC1
InChIInChI=1S/C22H25N3O/c1-15-2-6-20-18(12-15)19-13-23-10-8-21(19)24(20)11-9-16-3-7-22(26)25(14-16)17-4-5-17/h2-3,6-7,12,14,17,23H,4-5,8-11,13H2,1H3
InChIKeyWGNGRHQHUVCQFM-UHFFFAOYSA-N
XLogP3.33
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one (CID 123534727) is 1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one is Cc1ccc2c(c1)c1c(n2CCc2ccc(=O)n(C3CC3)c2)CCNC1.
What is the InChIKey of 1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one?
The InChIKey is WGNGRHQHUVCQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-2-6-20-18(12-15)19-13-23-10-8-21(19)24(20)11-9-16-3-7-22(26)25(14-16)17-4-5-17/h2-3,6-7,12,14,17,23H,4-5,8-11,13H2,1H3.
What are the key properties of 1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one?
1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one has a molecular weight of 347.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[2-(8-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 123534727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).