1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea

C18H21ClN6O3S — CID 22729756

IUPAC1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)NS(=O)(=O)c3ccccc3Cl)c2c1C
InChIInChI=1S/C18H21ClN6O3S/c1-10-11(2)22-17(20)15-16(10)25(12(3)23-15)9-8-21-18(26)24-29(27,28)14-7-5-4-6-13(14)19/h4-7H,8-9H2,1-3H3,(H2,20,22)(H2,21,24,26)
InChIKeyDAZXWUZWVFKBNW-UHFFFAOYSA-N
MW436.93 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea

1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea (PubChem CID 22729756) has the molecular formula C18H21ClN6O3S and a molecular weight of 436.93 g/mol. Its IUPAC name is 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea
PubChem CID22729756
Molecular FormulaC18H21ClN6O3S
Molecular Weight436.93 g/mol
Exact Mass436.11
IUPAC Name1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)NS(=O)(=O)c3ccccc3Cl)c2c1C
InChIInChI=1S/C18H21ClN6O3S/c1-10-11(2)22-17(20)15-16(10)25(12(3)23-15)9-8-21-18(26)24-29(27,28)14-7-5-4-6-13(14)19/h4-7H,8-9H2,1-3H3,(H2,20,22)(H2,21,24,26)
InChIKeyDAZXWUZWVFKBNW-UHFFFAOYSA-N
XLogP2.28
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.93
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea with MolForge

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Related Compounds

2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]acetic acid
CID 22729759
1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 22397364
[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethylcarbamoylamino]phosphonic acid
CID 22729710
N-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]cyclopropanecarboxamide
CID 22729680
N-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-cyanobenzamide
CID 22729603
1-[4-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)butyl]-3-(benzenesulfonyl)urea
CID 22729700
ethyl 2-[(2-chlorophenyl)sulfonylcarbamoylamino]acetate
CID 134112880
1-[3-[4-amino-2-(ethoxymethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]propyl]-3-(4-methylphenyl)sulfonylurea
CID 22729809
1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
CID 744684
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-3-(2-chlorophenyl)sulfonylurea
CID 134116858
2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium
CID 69193428
5-chloro-2-(2-chlorophenyl)-N-(2-chlorophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116473

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea?
The IUPAC name of 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea (CID 22729756) is 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea.
What is the SMILES notation for 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea?
The canonical SMILES for 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea is Cc1nc(N)c2nc(C)n(CCNC(=O)NS(=O)(=O)c3ccccc3Cl)c2c1C.
What is the InChIKey of 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea?
The InChIKey is DAZXWUZWVFKBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O3S/c1-10-11(2)22-17(20)15-16(10)25(12(3)23-15)9-8-21-18(26)24-29(27,28)14-7-5-4-6-13(14)19/h4-7H,8-9H2,1-3H3,(H2,20,22)(H2,21,24,26).
What are the key properties of 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea?
1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea has a molecular weight of 436.93 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-chlorophenyl)sulfonylurea is sourced from PubChem (CID 22729756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).