N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride

C21H21ClN6O3 — CID 87754286

IUPACN'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride
SMILESCO/N=C(\N)c1ccc(-c2ccc(-c3cn4cc(/C(N)=N/OC)ccc4n3)o2)cc1.Cl
InChIInChI=1S/C21H20N6O3.ClH/c1-28-25-20(22)14-5-3-13(4-6-14)17-8-9-18(30-17)16-12-27-11-15(21(23)26-29-2)7-10-19(27)24-16;/h3-12H,1-2H3,(H2,22,25)(H2,23,26);1H
InChIKeyLOGHBSRLOJWWEL-UHFFFAOYSA-N
MW440.89 g/mol
LogP3.22
Rot. Bonds6

About N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride

N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride (PubChem CID 87754286) has the molecular formula C21H21ClN6O3 and a molecular weight of 440.89 g/mol. Its IUPAC name is N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride
PubChem CID87754286
Molecular FormulaC21H21ClN6O3
Molecular Weight440.89 g/mol
Exact Mass440.14
IUPAC NameN'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride
SMILESCO/N=C(\N)c1ccc(-c2ccc(-c3cn4cc(/C(N)=N/OC)ccc4n3)o2)cc1.Cl
InChIInChI=1S/C21H20N6O3.ClH/c1-28-25-20(22)14-5-3-13(4-6-14)17-8-9-18(30-17)16-12-27-11-15(21(23)26-29-2)7-10-19(27)24-16;/h3-12H,1-2H3,(H2,22,25)(H2,23,26);1H
InChIKeyLOGHBSRLOJWWEL-UHFFFAOYSA-N
XLogP3.22
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-4-[5-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]furan-2-yl]benzenecarboximidamide
CID 89033049
N'-methoxy-4-[4-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 58478039
[(E)-[[4-[5-[5-[(Z)-N'-acetyloxycarbamimidoyl]furan-2-yl]furan-2-yl]phenyl]-aminomethylidene]amino] acetate
CID 87536233
N'-hydroxy-4-[2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
CID 11222906
2,4,5-trideuterio-N'-methoxy-6-[5-[3,4,6-trideuterio-5-[(E)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide;hydrochloride
CID 11995223
6-methoxy-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridine
CID 117130164
[(E)-[amino-[4-[5-[4-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]amino] ethyl carbonate
CID 5482488
2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-6-amine
CID 63945076
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
CID 3455990
N'-hydroxy-6-[5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 135676648
N'-hydroxy-6-[5-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]furan-2-yl]pyridine-3-carboximidamide
CID 135447764
acetic acid;4-[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
CID 69254410

Frequently Asked Questions

What is the IUPAC name of N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride?
The IUPAC name of N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride (CID 87754286) is N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride.
What is the SMILES notation for N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride?
The canonical SMILES for N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride is CO/N=C(\N)c1ccc(-c2ccc(-c3cn4cc(/C(N)=N/OC)ccc4n3)o2)cc1.Cl.
What is the InChIKey of N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride?
The InChIKey is LOGHBSRLOJWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3.ClH/c1-28-25-20(22)14-5-3-13(4-6-14)17-8-9-18(30-17)16-12-27-11-15(21(23)26-29-2)7-10-19(27)24-16;/h3-12H,1-2H3,(H2,22,25)(H2,23,26);1H.
What are the key properties of N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride?
N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride has a molecular weight of 440.89 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-2-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide;hydrochloride is sourced from PubChem (CID 87754286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).