[4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride

C17H25Cl2N9O2 — CID 131726812

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCN(CCN)CC3)c21.Cl.Cl
InChIInChI=1S/C17H23N9O2.2ClH/c1-2-26-14-11(17(27)25-7-5-24(4-3-18)6-8-25)9-20-10-12(14)21-16(26)13-15(19)23-28-22-13;;/h9-10H,2-8,18H2,1H3,(H2,19,23);2*1H
InChIKeyVGIAGLIEAJVTEJ-UHFFFAOYSA-N
MW458.35 g/mol
LogP0.64
Rot. Bonds5

About [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride

[4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride (PubChem CID 131726812) has the molecular formula C17H25Cl2N9O2 and a molecular weight of 458.35 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride
PubChem CID131726812
Molecular FormulaC17H25Cl2N9O2
Molecular Weight458.35 g/mol
Exact Mass457.15
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCN(CCN)CC3)c21.Cl.Cl
InChIInChI=1S/C17H23N9O2.2ClH/c1-2-26-14-11(17(27)25-7-5-24(4-3-18)6-8-25)9-20-10-12(14)21-16(26)13-15(19)23-28-22-13;;/h9-10H,2-8,18H2,1H3,(H2,19,23);2*1H
InChIKeyVGIAGLIEAJVTEJ-UHFFFAOYSA-N
XLogP0.64
TPSA145.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride with MolForge

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Related Compounds

(2S)-2-amino-1-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carbonyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 69158273
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 69199358
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-(4-aminopiperidin-1-yl)methanone
CID 11152477
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 69157882
N-[1-(2-aminoacetyl)piperidin-4-yl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxamide
CID 10237882
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride
CID 142808974
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(oxan-4-yl)imidazo[4,5-c]pyridine-7-carboxamide
CID 11428274
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide
CID 11485067
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridine-7-carboxamide
CID 69157916
4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11258275
4-[7-[4-(aminomethyl)phenyl]-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 57399141
4-(7-anilino-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59681825

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride (CID 131726812) is [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride is CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCN(CCN)CC3)c21.Cl.Cl.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride?
The InChIKey is VGIAGLIEAJVTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9O2.2ClH/c1-2-26-14-11(17(27)25-7-5-24(4-3-18)6-8-25)9-20-10-12(14)21-16(26)13-15(19)23-28-22-13;;/h9-10H,2-8,18H2,1H3,(H2,19,23);2*1H.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride?
[4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride has a molecular weight of 458.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanone;dihydrochloride is sourced from PubChem (CID 131726812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).