7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide

C22H26N4O2 — CID 67142551

IUPAC7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCOCCn1c(C)c(C)c2cc(C(N)=O)nc(N3CCc4ccccc4C3)c21
InChIInChI=1S/C22H26N4O2/c1-14-15(2)26(10-11-28-3)20-18(14)12-19(21(23)27)24-22(20)25-9-8-16-6-4-5-7-17(16)13-25/h4-7,12H,8-11,13H2,1-3H3,(H2,23,27)
InChIKeyYXJLWTCLXVRHNL-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.96
Rot. Bonds5

About 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide

7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 67142551) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID67142551
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCOCCn1c(C)c(C)c2cc(C(N)=O)nc(N3CCc4ccccc4C3)c21
InChIInChI=1S/C22H26N4O2/c1-14-15(2)26(10-11-28-3)20-18(14)12-19(21(23)27)24-22(20)25-9-8-16-6-4-5-7-17(16)13-25/h4-7,12H,8-11,13H2,1-3H3,(H2,23,27)
InChIKeyYXJLWTCLXVRHNL-UHFFFAOYSA-N
XLogP2.96
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide (CID 67142551) is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide is COCCn1c(C)c(C)c2cc(C(N)=O)nc(N3CCc4ccccc4C3)c21.
What is the InChIKey of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is YXJLWTCLXVRHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-15(2)26(10-11-28-3)20-18(14)12-19(21(23)27)24-22(20)25-9-8-16-6-4-5-7-17(16)13-25/h4-7,12H,8-11,13H2,1-3H3,(H2,23,27).
What are the key properties of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide?
7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 67142551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).