N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide

C19H21ClFN7O2 — CID 137097559

IUPACN'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILESCN1CCOC[C@H]1CNc1nc2nccc(/C(=N/c3ccc(F)c(Cl)c3)NO)c2[nH]1
InChIInChI=1S/C19H21ClFN7O2/c1-28-6-7-30-10-12(28)9-23-19-25-16-13(4-5-22-18(16)26-19)17(27-29)24-11-2-3-15(21)14(20)8-11/h2-5,8,12,29H,6-7,9-10H2,1H3,(H,24,27)(H2,22,23,25,26)/t12-/m1/s1
InChIKeyKEKDDAPUHHQTFP-GFCCVEGCSA-N
MW433.88 g/mol
LogP2.55
Rot. Bonds5

About N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide

N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 137097559) has the molecular formula C19H21ClFN7O2 and a molecular weight of 433.88 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID137097559
Molecular FormulaC19H21ClFN7O2
Molecular Weight433.88 g/mol
Exact Mass433.14
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILESCN1CCOC[C@H]1CNc1nc2nccc(/C(=N/c3ccc(F)c(Cl)c3)NO)c2[nH]1
InChIInChI=1S/C19H21ClFN7O2/c1-28-6-7-30-10-12(28)9-23-19-25-16-13(4-5-22-18(16)26-19)17(27-29)24-11-2-3-15(21)14(20)8-11/h2-5,8,12,29H,6-7,9-10H2,1H3,(H,24,27)(H2,22,23,25,26)/t12-/m1/s1
InChIKeyKEKDDAPUHHQTFP-GFCCVEGCSA-N
XLogP2.55
TPSA110.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.88
LogP ≤ 52.55
H-Bond Donors ≤ 54
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'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(1-methylpiperidin-2-yl)methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097644
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(oxolan-3-ylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097897
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(3-methyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 139514092
N'-(3-chloro-4-fluorophenyl)-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097832
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(1-oxothian-3-yl)methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 145190734
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(2-methoxyethoxy)ethylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097874
methyl N-[2-[[7-[N'-(3-chloro-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]ethyl]carbamate
CID 137146059
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(methylsulfanylamino)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 139514063
2-(aminomethyl)-N'-(3-chloro-4-fluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097616
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097673
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097786
N'-(3-chloro-4-fluorophenyl)-6,7-difluoro-N-hydroxy-2-(morpholin-3-ylmethylamino)-3H-benzimidazole-4-carboximidamide
CID 122687360

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 137097559) is N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide is CN1CCOC[C@H]1CNc1nc2nccc(/C(=N/c3ccc(F)c(Cl)c3)NO)c2[nH]1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is KEKDDAPUHHQTFP-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21ClFN7O2/c1-28-6-7-30-10-12(28)9-23-19-25-16-13(4-5-22-18(16)26-19)17(27-29)24-11-2-3-15(21)14(20)8-11/h2-5,8,12,29H,6-7,9-10H2,1H3,(H,24,27)(H2,22,23,25,26)/t12-/m1/s1.
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 433.88 g/mol, XLogP of 2.55, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[[(3R)-4-methylmorpholin-3-yl]methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 137097559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).