1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea

C22H30N6O4S — CID 22729809

IUPAC1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H30N6O4S/c1-5-32-13-18-26-19-20(15(3)16(4)25-21(19)23)28(18)12-6-11-24-22(29)27-33(30,31)17-9-7-14(2)8-10-17/h7-10H,5-6,11-13H2,1-4H3,(H2,23,25)(H2,24,27,29)
InChIKeyKDDPNEFXKKXBOV-UHFFFAOYSA-N
MW474.59 g/mol
LogP2.55
Rot. Bonds9

About 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea

1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 22729809) has the molecular formula C22H30N6O4S and a molecular weight of 474.59 g/mol. Its IUPAC name is 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID22729809
Molecular FormulaC22H30N6O4S
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Name1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea
SMILESCCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H30N6O4S/c1-5-32-13-18-26-19-20(15(3)16(4)25-21(19)23)28(18)12-6-11-24-22(29)27-33(30,31)17-9-7-14(2)8-10-17/h7-10H,5-6,11-13H2,1-4H3,(H2,23,25)(H2,24,27,29)
InChIKeyKDDPNEFXKKXBOV-UHFFFAOYSA-N
XLogP2.55
TPSA141.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea 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-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-3-(benzenesulfonyl)urea
CID 22729700
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
N-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 59041063
1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea
CID 22729756
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
5-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]pentane-1-sulfonamide
CID 91223283
N-[4-[4-amino-2-(ethoxymethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]butyl]-4-(trifluoromethyl)benzenesulfonamide
CID 23433813
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
tert-butyl N-[4-[7-amino-4-(ethoxymethyl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-3-yl]butyl]carbamate
CID 168966274
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea (CID 22729809) is 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea is CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is KDDPNEFXKKXBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4S/c1-5-32-13-18-26-19-20(15(3)16(4)25-21(19)23)28(18)12-6-11-24-22(29)27-33(30,31)17-9-7-14(2)8-10-17/h7-10H,5-6,11-13H2,1-4H3,(H2,23,25)(H2,24,27,29).
What are the key properties of 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea?
1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 474.59 g/mol, XLogP of 2.55, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 22729809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).