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

C16H20N8O2 — CID 11485067

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)NC[C@@H]3CCNC3)c21
InChIInChI=1S/C16H20N8O2/c1-2-24-13-10(16(25)20-6-9-3-4-18-5-9)7-19-8-11(13)21-15(24)12-14(17)23-26-22-12/h7-9,18H,2-6H2,1H3,(H2,17,23)(H,20,25)/t9-/m1/s1
InChIKeyAOBHJJYEJGTGFW-SECBINFHSA-N
MW356.39 g/mol
LogP0.42
Rot. Bonds5

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

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 11485067) has the molecular formula C16H20N8O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID11485067
Molecular FormulaC16H20N8O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide
SMILESCCn1c(-c2nonc2N)nc2cncc(C(=O)NC[C@@H]3CCNC3)c21
InChIInChI=1S/C16H20N8O2/c1-2-24-13-10(16(25)20-6-9-3-4-18-5-9)7-19-8-11(13)21-15(24)12-14(17)23-26-22-12/h7-9,18H,2-6H2,1H3,(H2,17,23)(H,20,25)/t9-/m1/s1
InChIKeyAOBHJJYEJGTGFW-SECBINFHSA-N
XLogP0.42
TPSA136.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridine-7-carboxamide
CID 69157916
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-(4-aminopiperidin-1-yl)methanone
CID 11152477
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]-morpholin-4-ylmethanone
CID 69199358
(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
[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
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]methanol;hydrochloride
CID 142808974
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
4-(7-anilino-1-ethylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 59681825
5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 115026867
4-[1-methyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 59681806

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 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) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide is CCn1c(-c2nonc2N)nc2cncc(C(=O)NC[C@@H]3CCNC3)c21.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is AOBHJJYEJGTGFW-SECBINFHSA-N. The full InChI is InChI=1S/C16H20N8O2/c1-2-24-13-10(16(25)20-6-9-3-4-18-5-9)7-19-8-11(13)21-15(24)12-14(17)23-26-22-12/h7-9,18H,2-6H2,1H3,(H2,17,23)(H,20,25)/t9-/m1/s1.
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 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)-1-ethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 11485067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).