bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine

C25H34N4O10 — CID 6449275

IUPACbis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine
SMILESCCOCCn1c(CCCN2CCOCC2)nc2cccnc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C17H26N4O2.2C4H4O4/c1-2-22-14-11-21-16(19-15-5-3-7-18-17(15)21)6-4-8-20-9-12-23-13-10-20;2*5-3(6)1-2-4(7)8/h3,5,7H,2,4,6,8-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKeyWOJXFTWFNRZGDW-LVEZLNDCSA-N
MW550.57 g/mol
LogP1.16
Rot. Bonds12

About bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine

bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine (PubChem CID 6449275) has the molecular formula C25H34N4O10 and a molecular weight of 550.57 g/mol. Its IUPAC name is bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine.

Molecular Properties

Compound Namebis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine
PubChem CID6449275
Molecular FormulaC25H34N4O10
Molecular Weight550.57 g/mol
Exact Mass550.23
IUPAC Namebis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine
SMILESCCOCCn1c(CCCN2CCOCC2)nc2cccnc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C17H26N4O2.2C4H4O4/c1-2-22-14-11-21-16(19-15-5-3-7-18-17(15)21)6-4-8-20-9-12-23-13-10-20;2*5-3(6)1-2-4(7)8/h3,5,7H,2,4,6,8-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKeyWOJXFTWFNRZGDW-LVEZLNDCSA-N
XLogP1.16
TPSA201.61 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.57
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Emedastine Difumarate
CID 5282485
8-Imidazo[1,5-a]pyridin-5-yl-oct-2-enoic acid
CID 13206150
5-Imidazo[1,5-a]pyridin-5-yl-penta-2,4-dienoic acid
CID 13206156
Emedastine monofumarate
CID 21893787
4-Imidazo[1,2-a]pyridin-2-ylmethyl-piperazine-1-carboxylic acid ethyl ester
CID 651683
1,3-Dimethyl-5-[6-morpholin-4-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-2-one
CID 117891967
5-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one
CID 117891973
3H-Imidazo(4,5-b)pyridine-2-propanamine, N,N-dimethyl-3-(2-ethoxyethyl)-
CID 3076961
3H-Imidazo(4,5-b)pyridine-2-ethanamine, N,N-dimethyl-3-(2-ethoxyethyl)-
CID 3076962
1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-(2-propenyloxy)ethyl)-, (E)-2-butenedioate (1:2)
CID 6448425
1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-propoxyethyl)-, (E)-2-butenedioate (1:2)
CID 6448431
1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(1-piperazinylmethyl)-, (E)-2-butenedioate, hydrate (1:1:1)
CID 23310590

Frequently Asked Questions

What is the IUPAC name of bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine?
The IUPAC name of bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine (CID 6449275) is bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine.
What is the SMILES notation for bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine?
The canonical SMILES for bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine is CCOCCn1c(CCCN2CCOCC2)nc2cccnc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.
What is the InChIKey of bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine?
The InChIKey is WOJXFTWFNRZGDW-LVEZLNDCSA-N. The full InChI is InChI=1S/C17H26N4O2.2C4H4O4/c1-2-22-14-11-21-16(19-15-5-3-7-18-17(15)21)6-4-8-20-9-12-23-13-10-20;2*5-3(6)1-2-4(7)8/h3,5,7H,2,4,6,8-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+.
What are the key properties of bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine?
bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine has a molecular weight of 550.57 g/mol, XLogP of 1.16, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis((E)-but-2-enedioic acid);4-[3-[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]morpholine is sourced from PubChem (CID 6449275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).