1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol

C20H26N6O2 — CID 143051742

IUPAC1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(CON=C2CCCCC2)nc2c(N)nc3cccnc3c21
InChIInChI=1S/C20H26N6O2/c1-20(2,27)12-26-15(11-28-25-13-7-4-3-5-8-13)24-17-18(26)16-14(23-19(17)21)9-6-10-22-16/h6,9-10,27H,3-5,7-8,11-12H2,1-2H3,(H2,21,23)
InChIKeyXEBZSSIAMGTSFV-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.17
Rot. Bonds5

About 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol

1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol (PubChem CID 143051742) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
PubChem CID143051742
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(CON=C2CCCCC2)nc2c(N)nc3cccnc3c21
InChIInChI=1S/C20H26N6O2/c1-20(2,27)12-26-15(11-28-25-13-7-4-3-5-8-13)24-17-18(26)16-14(23-19(17)21)9-6-10-22-16/h6,9-10,27H,3-5,7-8,11-12H2,1-2H3,(H2,21,23)
InChIKeyXEBZSSIAMGTSFV-UHFFFAOYSA-N
XLogP3.17
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
CID 91308676
[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate
CID 68940335
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
1-(2-aminoethyl)-2-(methoxymethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 68936410
[4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol
CID 143284375
1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
CID 11164204
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 58970704
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 158581646
1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
CID 68933255

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol (CID 143051742) is 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1c(CON=C2CCCCC2)nc2c(N)nc3cccnc3c21.
What is the InChIKey of 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
The InChIKey is XEBZSSIAMGTSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-20(2,27)12-26-15(11-28-25-13-7-4-3-5-8-13)24-17-18(26)16-14(23-19(17)21)9-6-10-22-16/h6,9-10,27H,3-5,7-8,11-12H2,1-2H3,(H2,21,23).
What are the key properties of 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol has a molecular weight of 382.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 143051742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).