N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide

C23H26N8O4 — CID 70701949

IUPACN-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide
SMILESCCn1c(-c2nonc2N)nc2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)cc21
InChIInChI=1S/C23H26N8O4/c1-2-31-18-13-19(25-14-17(18)26-22(31)20-21(24)29-35-28-20)27-23(32)15-3-5-16(6-4-15)34-12-9-30-7-10-33-11-8-30/h3-6,13-14H,2,7-12H2,1H3,(H2,24,29)(H,25,27,32)
InChIKeyAVIMZJSOKOECPQ-UHFFFAOYSA-N
MW478.51 g/mol
LogP2.05
Rot. Bonds8

About N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide

N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide (PubChem CID 70701949) has the molecular formula C23H26N8O4 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide
PubChem CID70701949
Molecular FormulaC23H26N8O4
Molecular Weight478.51 g/mol
Exact Mass478.21
IUPAC NameN-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide
SMILESCCn1c(-c2nonc2N)nc2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)cc21
InChIInChI=1S/C23H26N8O4/c1-2-31-18-13-19(25-14-17(18)26-22(31)20-21(24)29-35-28-20)27-23(32)15-3-5-16(6-4-15)34-12-9-30-7-10-33-11-8-30/h3-6,13-14H,2,7-12H2,1H3,(H2,24,29)(H,25,27,32)
InChIKeyAVIMZJSOKOECPQ-UHFFFAOYSA-N
XLogP2.05
TPSA146.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The IUPAC name of N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide (CID 70701949) is N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide.
What is the SMILES notation for N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The canonical SMILES for N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide is CCn1c(-c2nonc2N)nc2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)cc21.
What is the InChIKey of N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The InChIKey is AVIMZJSOKOECPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O4/c1-2-31-18-13-19(25-14-17(18)26-22(31)20-21(24)29-35-28-20)27-23(32)15-3-5-16(6-4-15)34-12-9-30-7-10-33-11-8-30/h3-6,13-14H,2,7-12H2,1H3,(H2,24,29)(H,25,27,32).
What are the key properties of N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide has a molecular weight of 478.51 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]-4-(2-morpholin-4-ylethoxy)benzamide is sourced from PubChem (CID 70701949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).