4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide

C54H56N8O4 — CID 123471580

IUPAC4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1
InChIInChI=1S/2C27H28N4O2/c2*1-19-5-10-24(22(16-19)17-30-12-14-33-15-13-30)27(32)28-23-8-6-21(7-9-23)25-18-31-11-3-4-20(2)26(31)29-25/h2*3-11,16,18H,12-15,17H2,1-2H3,(H,28,32)
InChIKeyLEVVKBPSTHRPLY-UHFFFAOYSA-N
MW881.09 g/mol
LogP9.41
Rot. Bonds10

About 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide

4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide (PubChem CID 123471580) has the molecular formula C54H56N8O4 and a molecular weight of 881.09 g/mol. Its IUPAC name is 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide
PubChem CID123471580
Molecular FormulaC54H56N8O4
Molecular Weight881.09 g/mol
Exact Mass880.44
IUPAC Name4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1
InChIInChI=1S/2C27H28N4O2/c2*1-19-5-10-24(22(16-19)17-30-12-14-33-15-13-30)27(32)28-23-8-6-21(7-9-23)25-18-31-11-3-4-20(2)26(31)29-25/h2*3-11,16,18H,12-15,17H2,1-2H3,(H,28,32)
InChIKeyLEVVKBPSTHRPLY-UHFFFAOYSA-N
XLogP9.41
TPSA117.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.09
LogP ≤ 59.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide
CID 121249908
US10513523, Example 8
CID 122656020
1-[(3~{r})-3-(1~{h}-Benzimidazol-2-Yl)morpholin-4-Yl]-3-[2-(4-Methyl-2-Phenyl-Phenyl)-1~{h}-Pyrrolo[2,3-B]pyridin-3-Yl]propan-1-One
CID 123132902
8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-9-methyl-6-morpholin-4-ylmethyl-9H-1,5,7,9-tetraaza-fluorene-4-carboxylic acid amide
CID 11295806
[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 16124179
3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methyl-N-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 24827072
N-{4-[(4-(2-Hydroxyethyl)piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[2-(imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylbenzamide
CID 24827163
4-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzamide
CID 24856513
1-[4-(7-Ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]-3-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea
CID 46201895
3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(4-morpholinylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 46839177
5-(8-(4-Morpholinophenylamino)-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)isoindolin-1-one
CID 57345529
5-[8-(4-Morpholin-4-yl-phenylamino)-imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydro-isoindol-1-one
CID 57393993

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide (CID 123471580) is 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide is Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCOCC2)c1.
What is the InChIKey of 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide?
The InChIKey is LEVVKBPSTHRPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H28N4O2/c2*1-19-5-10-24(22(16-19)17-30-12-14-33-15-13-30)27(32)28-23-8-6-21(7-9-23)25-18-31-11-3-4-20(2)26(31)29-25/h2*3-11,16,18H,12-15,17H2,1-2H3,(H,28,32).
What are the key properties of 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide?
4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide has a molecular weight of 881.09 g/mol, XLogP of 9.41, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 123471580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).