[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid

C17H14ClN7O3 — CID 68969988

IUPAC[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3cccc(Cl)c3)ncc(NC(=O)O)c21
InChIInChI=1S/C17H14ClN7O3/c1-2-25-14-10(21-17(26)27)7-20-11(8-4-3-5-9(18)6-8)12(14)22-16(25)13-15(19)24-28-23-13/h3-7,21H,2H2,1H3,(H2,19,24)(H,26,27)
InChIKeyPQYBPKNXIWACLU-UHFFFAOYSA-N
MW399.80 g/mol
LogP3.49
Rot. Bonds4

About [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid

[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid (PubChem CID 68969988) has the molecular formula C17H14ClN7O3 and a molecular weight of 399.80 g/mol. Its IUPAC name is [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid.

Molecular Properties

Compound Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid
PubChem CID68969988
Molecular FormulaC17H14ClN7O3
Molecular Weight399.80 g/mol
Exact Mass399.08
IUPAC Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3cccc(Cl)c3)ncc(NC(=O)O)c21
InChIInChI=1S/C17H14ClN7O3/c1-2-25-14-10(21-17(26)27)7-20-11(8-4-3-5-9(18)6-8)12(14)22-16(25)13-15(19)24-28-23-13/h3-7,21H,2H2,1H3,(H2,19,24)(H,26,27)
InChIKeyPQYBPKNXIWACLU-UHFFFAOYSA-N
XLogP3.49
TPSA144.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-ol
CID 69299704
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 68898586
1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-(3-chlorophenyl)urea;2,2,2-trifluoroacetic acid
CID 44529712
3-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]propane-1,2-diol
CID 69299114
[4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69298095
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 68897287
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 68900405
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 68901919
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-methoxypropanamide
CID 69296531
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 68898817
[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]-N-[(4-chlorophenyl)carbamoyl]anilino] 2,2,2-trifluoroacetate
CID 90835180
2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol
CID 11327693

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid?
The IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid (CID 68969988) is [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid.
What is the SMILES notation for [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid?
The canonical SMILES for [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid is CCn1c(-c2nonc2N)nc2c(-c3cccc(Cl)c3)ncc(NC(=O)O)c21.
What is the InChIKey of [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid?
The InChIKey is PQYBPKNXIWACLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O3/c1-2-25-14-10(21-17(26)27)7-20-11(8-4-3-5-9(18)6-8)12(14)22-16(25)13-15(19)24-28-23-13/h3-7,21H,2H2,1H3,(H2,19,24)(H,26,27).
What are the key properties of [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid?
[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid has a molecular weight of 399.80 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid is sourced from PubChem (CID 68969988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).