4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide

C16H22N6O3S — CID 68999199

IUPAC4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
SMILESCCOCc1nc2c(N)nc3cccnc3c2n1CCCCS(N)(=O)=O
InChIInChI=1S/C16H22N6O3S/c1-2-25-10-12-21-14-15(22(12)8-3-4-9-26(18,23)24)13-11(20-16(14)17)6-5-7-19-13/h5-7H,2-4,8-10H2,1H3,(H2,17,20)(H2,18,23,24)
InChIKeyIENGWLYQEZICJO-UHFFFAOYSA-N
MW378.46 g/mol
LogP1.17
Rot. Bonds8

About 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide

4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide (PubChem CID 68999199) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
PubChem CID68999199
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
SMILESCCOCc1nc2c(N)nc3cccnc3c2n1CCCCS(N)(=O)=O
InChIInChI=1S/C16H22N6O3S/c1-2-25-10-12-21-14-15(22(12)8-3-4-9-26(18,23)24)13-11(20-16(14)17)6-5-7-19-13/h5-7H,2-4,8-10H2,1H3,(H2,17,20)(H2,18,23,24)
InChIKeyIENGWLYQEZICJO-UHFFFAOYSA-N
XLogP1.17
TPSA139.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-amino-2-(ethoxymethyl)-7-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl]pentane-1-sulfonamide
CID 68820164
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460
4-amino-N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]-3-methoxybenzamide
CID 162737189
1-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]pentan-2-yl]-1-methoxy-3-propan-2-ylurea
CID 58869102
1-(2-aminoethyl)-2-(methoxymethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 68936410
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
N-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]acetamide
CID 20628617
1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
CID 10001667
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate
CID 68940335

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide?
The IUPAC name of 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide (CID 68999199) is 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide.
What is the SMILES notation for 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide?
The canonical SMILES for 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide is CCOCc1nc2c(N)nc3cccnc3c2n1CCCCS(N)(=O)=O.
What is the InChIKey of 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide?
The InChIKey is IENGWLYQEZICJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c1-2-25-10-12-21-14-15(22(12)8-3-4-9-26(18,23)24)13-11(20-16(14)17)6-5-7-19-13/h5-7H,2-4,8-10H2,1H3,(H2,17,20)(H2,18,23,24).
What are the key properties of 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide?
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide has a molecular weight of 378.46 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide is sourced from PubChem (CID 68999199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).