N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide

C22H25N5O3 — CID 139010316

IUPACN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide
SMILESCc1cccc2c1CN(C(=O)CCC(=O)Nc1ccc3c(n1)n(C)c(=O)n3C)CC2
InChIInChI=1S/C22H25N5O3/c1-14-5-4-6-15-11-12-27(13-16(14)15)20(29)10-9-19(28)23-18-8-7-17-21(24-18)26(3)22(30)25(17)2/h4-8H,9-13H2,1-3H3,(H,23,24,28)
InChIKeyMSJBZJBJPYAAFW-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.88
Rot. Bonds4

About N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide

N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide (PubChem CID 139010316) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide
PubChem CID139010316
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide
SMILESCc1cccc2c1CN(C(=O)CCC(=O)Nc1ccc3c(n1)n(C)c(=O)n3C)CC2
InChIInChI=1S/C22H25N5O3/c1-14-5-4-6-15-11-12-27(13-16(14)15)20(29)10-9-19(28)23-18-8-7-17-21(24-18)26(3)22(30)25(17)2/h4-8H,9-13H2,1-3H3,(H,23,24,28)
InChIKeyMSJBZJBJPYAAFW-UHFFFAOYSA-N
XLogP1.88
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide with MolForge

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Related Compounds

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-oxobutanamide
CID 3435912
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-naphthalen-1-ylbutanediamide
CID 3928074
N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-phenylbutanediamide
CID 3848501
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(4-methoxyphenoxy)methyl]piperazin-1-yl]-4-oxobutanamide
CID 4273533
N'-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N-(4-propan-2-ylphenyl)butanediamide
CID 3438653
8-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175983212
1-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 58777842
N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(2,3-dimethylphenyl)butanediamide
CID 5170214
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
CID 70981898
N-(1,3-diethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-4-oxobutanamide
CID 5107241
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 16591562
3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1-[(2-methylphenyl)methyl]quinazoline-2,4-dione
CID 155899884

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide (CID 139010316) is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide is Cc1cccc2c1CN(C(=O)CCC(=O)Nc1ccc3c(n1)n(C)c(=O)n3C)CC2.
What is the InChIKey of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide?
The InChIKey is MSJBZJBJPYAAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-5-4-6-15-11-12-27(13-16(14)15)20(29)10-9-19(28)23-18-8-7-17-21(24-18)26(3)22(30)25(17)2/h4-8H,9-13H2,1-3H3,(H,23,24,28).
What are the key properties of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide?
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide has a molecular weight of 407.47 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-4-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide is sourced from PubChem (CID 139010316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).