2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one

C29H33N5O3 — CID 170344218

IUPAC2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
SMILESCOc1cccc2cc(-c3nc4cc5c(cc4n3C)CCN(CC3COCCN3)C5=O)n(CC3CC3)c12
InChIInChI=1S/C29H33N5O3/c1-32-24-12-19-8-10-33(16-21-17-37-11-9-30-21)29(35)22(19)14-23(24)31-28(32)25-13-20-4-3-5-26(36-2)27(20)34(25)15-18-6-7-18/h3-5,12-14,18,21,30H,6-11,15-17H2,1-2H3
InChIKeyIMUXWEVGVNKJNS-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.60
Rot. Bonds6

About 2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one

2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one (PubChem CID 170344218) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
PubChem CID170344218
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
SMILESCOc1cccc2cc(-c3nc4cc5c(cc4n3C)CCN(CC3COCCN3)C5=O)n(CC3CC3)c12
InChIInChI=1S/C29H33N5O3/c1-32-24-12-19-8-10-33(16-21-17-37-11-9-30-21)29(35)22(19)14-23(24)31-28(32)25-13-20-4-3-5-26(36-2)27(20)34(25)15-18-6-7-18/h3-5,12-14,18,21,30H,6-11,15-17H2,1-2H3
InChIKeyIMUXWEVGVNKJNS-UHFFFAOYSA-N
XLogP3.60
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[2-(difluoromethoxy)ethyl]-7-methoxyindol-2-yl]-1-methyl-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 170603894
6-(2-amino-3-fluoropropyl)-2-[1-(cyclopropylmethyl)-7-(morpholin-3-ylmethoxy)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 170344187
[(2R)-1-[2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]propan-2-yl]carbamic acid
CID 170344180
2-[1-[(1-fluorocyclopropyl)methyl]-7-methoxyindol-2-yl]-3-methyl-7-[[(3S)-morpholin-3-yl]methyl]-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one
CID 170338433
6-[(2S)-2-amino-3-fluoropropyl]-2-(1-ethyl-7-methoxyindol-2-yl)-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 170603925
6-[(2S)-2-amino-3-fluoropropyl]-2-[1-(cyclopropylmethyl)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 170604228
[1-[2-[1-(cyclopropylmethyl)-7-[(2-oxopyrrolidin-3-yl)methoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid
CID 170344128
2-[1-(cyclopropylmethyl)-2-[6-(3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxyethyl N-methylcarbamate
CID 170604115
6-[(2R)-2-aminopropyl]-2-[1-(cyclopropylmethyl)-7-(trifluoromethyl)indol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 170344122
6-[(2R)-2-aminopropyl]-2-[1-(cyclopropylmethyl)-7-methoxypyrrolo[2,3-c]pyridin-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 170604186
(3S)-3-[[1-(cyclopropylmethyl)-2-[6-[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]indol-7-yl]oxymethyl]morpholine-4-carboxylic acid
CID 170344146
methyl N-[(2R)-1-[2-[6-[(2S)-2-amino-3-fluoropropyl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxypropan-2-yl]carbamate
CID 170603936

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one?
The IUPAC name of 2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one (CID 170344218) is 2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one is COc1cccc2cc(-c3nc4cc5c(cc4n3C)CCN(CC3COCCN3)C5=O)n(CC3CC3)c12.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one?
The InChIKey is IMUXWEVGVNKJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-32-24-12-19-8-10-33(16-21-17-37-11-9-30-21)29(35)22(19)14-23(24)31-28(32)25-13-20-4-3-5-26(36-2)27(20)34(25)15-18-6-7-18/h3-5,12-14,18,21,30H,6-11,15-17H2,1-2H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one?
2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one has a molecular weight of 499.62 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one is sourced from PubChem (CID 170344218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).