4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C22H26N8O — CID 11327555

IUPAC4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(CN3CCN(C)CC3)c21
InChIInChI=1S/C22H26N8O/c1-3-30-20-16(14-29-11-9-28(2)10-12-29)13-24-17(15-7-5-4-6-8-15)18(20)25-22(30)19-21(23)27-31-26-19/h4-8,13H,3,9-12,14H2,1-2H3,(H2,23,27)
InChIKeyHDWOVIOAEPARPA-UHFFFAOYSA-N
MW418.51 g/mol
LogP2.50
Rot. Bonds5

About 4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 11327555) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID11327555
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(CN3CCN(C)CC3)c21
InChIInChI=1S/C22H26N8O/c1-3-30-20-16(14-29-11-9-28(2)10-12-29)13-24-17(15-7-5-4-6-8-15)18(20)25-22(30)19-21(23)27-31-26-19/h4-8,13H,3,9-12,14H2,1-2H3,(H2,23,27)
InChIKeyHDWOVIOAEPARPA-UHFFFAOYSA-N
XLogP2.50
TPSA102.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol
CID 11327693
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)-1-ethylimidazo[4,5-c]pyridin-7-ol
CID 69299704
[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)-4-(2-chlorophenyl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 68901919
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
(2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol
CID 68899462
2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid
CID 69298101
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
4-(7-anilino-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59681825
[4-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxybutylamino]ethyl]-2-hydroxyphenyl] 2,2,2-trifluoroacetate
CID 69298343
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 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) is 4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(CN3CCN(C)CC3)c21.
What is the InChIKey of 4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is HDWOVIOAEPARPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-3-30-20-16(14-29-11-9-28(2)10-12-29)13-24-17(15-7-5-4-6-8-15)18(20)25-22(30)19-21(23)27-31-26-19/h4-8,13H,3,9-12,14H2,1-2H3,(H2,23,27).
What are the key properties of 4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 418.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 11327555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).