1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

C22H26FN5O2 — CID 51122260

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCc1ccn2cc(CNC(=O)Nc3ccc(N4CC(C)OC(C)C4)c(F)c3)nc2c1
InChIInChI=1S/C22H26FN5O2/c1-14-6-7-27-13-18(25-21(27)8-14)10-24-22(29)26-17-4-5-20(19(23)9-17)28-11-15(2)30-16(3)12-28/h4-9,13,15-16H,10-12H2,1-3H3,(H2,24,26,29)
InChIKeyYOTXEPKVAQPUAO-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.72
Rot. Bonds4

About 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea

1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (PubChem CID 51122260) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
PubChem CID51122260
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
SMILESCc1ccn2cc(CNC(=O)Nc3ccc(N4CC(C)OC(C)C4)c(F)c3)nc2c1
InChIInChI=1S/C22H26FN5O2/c1-14-6-7-27-13-18(25-21(27)8-14)10-24-22(29)26-17-4-5-20(19(23)9-17)28-11-15(2)30-16(3)12-28/h4-9,13,15-16H,10-12H2,1-3H3,(H2,24,26,29)
InChIKeyYOTXEPKVAQPUAO-UHFFFAOYSA-N
XLogP3.72
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55799893
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-prop-2-enylurea
CID 94189699
N-[3-[[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]carbamoylamino]methyl]phenyl]acetamide
CID 55747141
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(2-methoxyethyl)urea
CID 94189672
1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
CID 47042942
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94647091
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(5-hydroxy-2,2-dimethylpentyl)urea
CID 97256038
1-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 55921434
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]urea
CID 97073734
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]urea
CID 100853661
2,2,6-trimethyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholine-4-carboxamide
CID 48713515
1-[2-(4-chlorophenyl)sulfonylethyl]-3-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]urea
CID 52507747

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea (CID 51122260) is 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is Cc1ccn2cc(CNC(=O)Nc3ccc(N4CC(C)OC(C)C4)c(F)c3)nc2c1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
The InChIKey is YOTXEPKVAQPUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-14-6-7-27-13-18(25-21(27)8-14)10-24-22(29)26-17-4-5-20(19(23)9-17)28-11-15(2)30-16(3)12-28/h4-9,13,15-16H,10-12H2,1-3H3,(H2,24,26,29).
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea?
1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea has a molecular weight of 411.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea is sourced from PubChem (CID 51122260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).