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

C26H30N6O2 — CID 170604186

IUPAC6-[(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
SMILESCOc1nccc2cc(-c3nc4cc5c(cc4n3C)CCN(C[C@@H](C)N)C5=O)n(CC3CC3)c12
InChIInChI=1S/C26H30N6O2/c1-15(27)13-31-9-7-17-10-21-20(12-19(17)26(31)33)29-24(30(21)2)22-11-18-6-8-28-25(34-3)23(18)32(22)14-16-4-5-16/h6,8,10-12,15-16H,4-5,7,9,13-14,27H2,1-3H3/t15-/m1/s1
InChIKeyFSWKGPVEKSBSQV-OAHLLOKOSA-N
MW458.57 g/mol
LogP3.35
Rot. Bonds6

About 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

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 (PubChem CID 170604186) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID170604186
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name6-[(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
SMILESCOc1nccc2cc(-c3nc4cc5c(cc4n3C)CCN(C[C@@H](C)N)C5=O)n(CC3CC3)c12
InChIInChI=1S/C26H30N6O2/c1-15(27)13-31-9-7-17-10-21-20(12-19(17)26(31)33)29-24(30(21)2)22-11-18-6-8-28-25(34-3)23(18)32(22)14-16-4-5-16/h6,8,10-12,15-16H,4-5,7,9,13-14,27H2,1-3H3/t15-/m1/s1
InChIKeyFSWKGPVEKSBSQV-OAHLLOKOSA-N
XLogP3.35
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
[(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
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
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
tert-butyl N-[(2R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]propan-2-yl]carbamate
CID 170603944
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
2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 170344218
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
[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
[1-[2-[1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indol-2-yl]-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-6-yl]-3-fluoropropan-2-yl]carbamic acid
CID 170344353
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-[(2S)-2-amino-3-fluoropropyl]-2-[1-(furan-3-ylmethyl)-7-methoxyindol-2-yl]-1-methyl-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 170603958

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nccc2cc(-c3nc4cc5c(cc4n3C)CCN(C[C@@H](C)N)C5=O)n(CC3CC3)c12.
What is the InChIKey of 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?
The InChIKey is FSWKGPVEKSBSQV-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-15(27)13-31-9-7-17-10-21-20(12-19(17)26(31)33)29-24(30(21)2)22-11-18-6-8-28-25(34-3)23(18)32(22)14-16-4-5-16/h6,8,10-12,15-16H,4-5,7,9,13-14,27H2,1-3H3/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 458.57 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170604186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).