2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone

C24H30N4O — CID 137155149

IUPAC2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone
SMILESCC1CCCN(CC(=O)C2CCC(c3cnc4ncc5[nH]cccc5c34)CC2)C1
InChIInChI=1S/C24H30N4O/c1-16-4-3-11-28(14-16)15-22(29)18-8-6-17(7-9-18)20-12-26-24-23(20)19-5-2-10-25-21(19)13-27-24/h2,5,10,12-13,16-18,25H,3-4,6-9,11,14-15H2,1H3
InChIKeyRGXBEMUGECNGTQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.69
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone

2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone (PubChem CID 137155149) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone
PubChem CID137155149
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone
SMILESCC1CCCN(CC(=O)C2CCC(c3cnc4ncc5[nH]cccc5c34)CC2)C1
InChIInChI=1S/C24H30N4O/c1-16-4-3-11-28(14-16)15-22(29)18-8-6-17(7-9-18)20-12-26-24-23(20)19-5-2-10-25-21(19)13-27-24/h2,5,10,12-13,16-18,25H,3-4,6-9,11,14-15H2,1H3
InChIKeyRGXBEMUGECNGTQ-UHFFFAOYSA-N
XLogP4.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone (CID 137155149) is 2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone is CC1CCCN(CC(=O)C2CCC(c3cnc4ncc5[nH]cccc5c34)CC2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone?
The InChIKey is RGXBEMUGECNGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-16-4-3-11-28(14-16)15-22(29)18-8-6-17(7-9-18)20-12-26-24-23(20)19-5-2-10-25-21(19)13-27-24/h2,5,10,12-13,16-18,25H,3-4,6-9,11,14-15H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone?
2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone has a molecular weight of 390.53 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-1-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)cyclohexyl]ethanone is sourced from PubChem (CID 137155149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).