2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol

C17H25N7O3 — CID 70972271

IUPAC2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol
SMILESCCn1c(-c2nonc2N)nc2c(C(C)(C)O)ncc(OC[C@@H](C)CN)c21
InChIInChI=1S/C17H25N7O3/c1-5-24-13-10(26-8-9(2)6-18)7-20-14(17(3,4)25)11(13)21-16(24)12-15(19)23-27-22-12/h7,9,25H,5-6,8,18H2,1-4H3,(H2,19,23)/t9-/m0/s1
InChIKeyNTTZPLHORPDBEM-VIFPVBQESA-N
MW375.43 g/mol
LogP1.28
Rot. Bonds7

About 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol

2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol (PubChem CID 70972271) has the molecular formula C17H25N7O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol
PubChem CID70972271
Molecular FormulaC17H25N7O3
Molecular Weight375.43 g/mol
Exact Mass375.20
IUPAC Name2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol
SMILESCCn1c(-c2nonc2N)nc2c(C(C)(C)O)ncc(OC[C@@H](C)CN)c21
InChIInChI=1S/C17H25N7O3/c1-5-24-13-10(26-8-9(2)6-18)7-20-14(17(3,4)25)11(13)21-16(24)12-15(19)23-27-22-12/h7,9,25H,5-6,8,18H2,1-4H3,(H2,19,23)/t9-/m0/s1
InChIKeyNTTZPLHORPDBEM-VIFPVBQESA-N
XLogP1.28
TPSA151.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol with MolForge

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Related Compounds

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol
CID 70972275
4-[7-[[1-(aminomethyl)cyclopropyl]methoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 16722971
tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 87763332
4-[7-(4-aminobutoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 25108028
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropyl-tert-butylcarbamic acid
CID 71651163
2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl-(2-sulfoethyl)amino]ethanesulfonic acid
CID 177022304
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 155431971
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(2-piperidin-2-ylethoxy)imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 59828279
2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxypropyl-(2-sulfoethyl)amino]ethanesulfonic acid
CID 177022256
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]but-3-yn-2-yl 2,2,2-trifluoroacetate
CID 69299689
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]but-3-yn-2-ol;2,2,2-trifluoroacetic acid
CID 69299686
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[2-[2-(4-methoxyphenyl)ethylamino]ethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 44529941

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol?
The IUPAC name of 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol (CID 70972271) is 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol?
The canonical SMILES for 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol is CCn1c(-c2nonc2N)nc2c(C(C)(C)O)ncc(OC[C@@H](C)CN)c21.
What is the InChIKey of 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol?
The InChIKey is NTTZPLHORPDBEM-VIFPVBQESA-N. The full InChI is InChI=1S/C17H25N7O3/c1-5-24-13-10(26-8-9(2)6-18)7-20-14(17(3,4)25)11(13)21-16(24)12-15(19)23-27-22-12/h7,9,25H,5-6,8,18H2,1-4H3,(H2,19,23)/t9-/m0/s1.
What are the key properties of 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol?
2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol has a molecular weight of 375.43 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol is sourced from PubChem (CID 70972271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).