1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine

C17H24N8O — CID 173211841

IUPAC1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine
SMILESCCn1c(-c2nonc2N)nc2cncc(CC3(N)CCC(N)CC3)c21
InChIInChI=1S/C17H24N8O/c1-2-25-14-10(7-17(20)5-3-11(18)4-6-17)8-21-9-12(14)22-16(25)13-15(19)24-26-23-13/h8-9,11H,2-7,18,20H2,1H3,(H2,19,24)
InChIKeyBXDOVHKKYSPRFI-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.22
Rot. Bonds4

About 1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine

1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine (PubChem CID 173211841) has the molecular formula C17H24N8O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine
PubChem CID173211841
Molecular FormulaC17H24N8O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine
SMILESCCn1c(-c2nonc2N)nc2cncc(CC3(N)CCC(N)CC3)c21
InChIInChI=1S/C17H24N8O/c1-2-25-14-10(7-17(20)5-3-11(18)4-6-17)8-21-9-12(14)22-16(25)13-15(19)24-26-23-13/h8-9,11H,2-7,18,20H2,1H3,(H2,19,24)
InChIKeyBXDOVHKKYSPRFI-UHFFFAOYSA-N
XLogP1.22
TPSA147.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

[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-ethylimidazo[4,5-c]pyridin-7-yl]-(4-aminopiperidin-1-yl)methanone
CID 11152477
4-[7-[4-(aminomethyl)piperidin-1-yl]sulfonyl-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11258275
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridine-7-carboxylic acid
CID 69157882
4-[1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 66576994
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(oxan-4-yl)imidazo[4,5-c]pyridine-7-carboxamide
CID 11428274
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
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide
CID 11463071
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-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-ethylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 69199358

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine (CID 173211841) is 1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine is CCn1c(-c2nonc2N)nc2cncc(CC3(N)CCC(N)CC3)c21.
What is the InChIKey of 1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine?
The InChIKey is BXDOVHKKYSPRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O/c1-2-25-14-10(7-17(20)5-3-11(18)4-6-17)8-21-9-12(14)22-16(25)13-15(19)24-26-23-13/h8-9,11H,2-7,18,20H2,1H3,(H2,19,24).
What are the key properties of 1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine?
1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine has a molecular weight of 356.43 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 173211841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).