2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide

C21H21BrN8O2 — CID 68900405

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
SMILESCCn1c(-c2nonc2N)nc2c(-c3cccc(Br)c3)ncc(C(=O)NN3CCCC3)c21
InChIInChI=1S/C21H21BrN8O2/c1-2-30-18-14(21(31)26-29-8-3-4-9-29)11-24-15(12-6-5-7-13(22)10-12)16(18)25-20(30)17-19(23)28-32-27-17/h5-7,10-11H,2-4,8-9H2,1H3,(H2,23,28)(H,26,31)
InChIKeyXSOINAFULJKNRN-UHFFFAOYSA-N
MW497.36 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 68900405) has the molecular formula C21H21BrN8O2 and a molecular weight of 497.36 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
PubChem CID68900405
Molecular FormulaC21H21BrN8O2
Molecular Weight497.36 g/mol
Exact Mass496.10
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
SMILESCCn1c(-c2nonc2N)nc2c(-c3cccc(Br)c3)ncc(C(=O)NN3CCCC3)c21
InChIInChI=1S/C21H21BrN8O2/c1-2-30-18-14(21(31)26-29-8-3-4-9-29)11-24-15(12-6-5-7-13(22)10-12)16(18)25-20(30)17-19(23)28-32-27-17/h5-7,10-11H,2-4,8-9H2,1H3,(H2,23,28)(H,26,31)
InChIKeyXSOINAFULJKNRN-UHFFFAOYSA-N
XLogP3.25
TPSA127.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
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)-1-ethyl-N-piperidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 69158423
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride
CID 69296506
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(3-morpholin-4-ylpropyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;hydrochloride
CID 69298100
[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-yl]carbamic acid
CID 68969988
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-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 68898817
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
[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
4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11327555
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-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 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) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide is CCn1c(-c2nonc2N)nc2c(-c3cccc(Br)c3)ncc(C(=O)NN3CCCC3)c21.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is XSOINAFULJKNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN8O2/c1-2-30-18-14(21(31)26-29-8-3-4-9-29)11-24-15(12-6-5-7-13(22)10-12)16(18)25-20(30)17-19(23)28-32-27-17/h5-7,10-11H,2-4,8-9H2,1H3,(H2,23,28)(H,26,31).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 497.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 68900405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).