1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea

C22H27N5O2 — CID 75415294

IUPAC1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESCC1CN(Cc2ccccc2NC(=O)NCc2cn3ccccc3n2)CC(C)O1
InChIInChI=1S/C22H27N5O2/c1-16-12-26(13-17(2)29-16)14-18-7-3-4-8-20(18)25-22(28)23-11-19-15-27-10-6-5-9-21(27)24-19/h3-10,15-17H,11-14H2,1-2H3,(H2,23,25,28)
InChIKeyUYCQVARADKSFCH-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.27
Rot. Bonds5

About 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea

1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea (PubChem CID 75415294) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
PubChem CID75415294
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESCC1CN(Cc2ccccc2NC(=O)NCc2cn3ccccc3n2)CC(C)O1
InChIInChI=1S/C22H27N5O2/c1-16-12-26(13-17(2)29-16)14-18-7-3-4-8-20(18)25-22(28)23-11-19-15-27-10-6-5-9-21(27)24-19/h3-10,15-17H,11-14H2,1-2H3,(H2,23,25,28)
InChIKeyUYCQVARADKSFCH-UHFFFAOYSA-N
XLogP3.27
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 75358110
1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 78887670
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 167755992
1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(2-fluorophenyl)urea
CID 86979768
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 92766789
1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 96529468
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721961
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-phenoxyacetamide
CID 55801489
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 94028303
1-[(2-chlorophenyl)methyl]-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 55801204
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
CID 55801490

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea (CID 75415294) is 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea is CC1CN(Cc2ccccc2NC(=O)NCc2cn3ccccc3n2)CC(C)O1.
What is the InChIKey of 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
The InChIKey is UYCQVARADKSFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-12-26(13-17(2)29-16)14-18-7-3-4-8-20(18)25-22(28)23-11-19-15-27-10-6-5-9-21(27)24-19/h3-10,15-17H,11-14H2,1-2H3,(H2,23,25,28).
What are the key properties of 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea?
1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea has a molecular weight of 393.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea is sourced from PubChem (CID 75415294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).