7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C26H28ClN5O3 — CID 10185071

IUPAC7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESNC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(C(=O)Nc1ccc3c(c1)CN(CCO)CC3)CC2
InChIInChI=1S/C26H28ClN5O3/c27-23-22(25(28)34)21-16-31(10-11-32(21)24(23)18-4-2-1-3-5-18)26(35)29-20-7-6-17-8-9-30(12-13-33)15-19(17)14-20/h1-7,14,33H,8-13,15-16H2,(H2,28,34)(H,29,35)
InChIKeyMMWZLUMKRMDNTF-UHFFFAOYSA-N
MW494.00 g/mol
LogP3.31
Rot. Bonds5

About 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 10185071) has the molecular formula C26H28ClN5O3 and a molecular weight of 494.00 g/mol. Its IUPAC name is 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID10185071
Molecular FormulaC26H28ClN5O3
Molecular Weight494.00 g/mol
Exact Mass493.19
IUPAC Name7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESNC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(C(=O)Nc1ccc3c(c1)CN(CCO)CC3)CC2
InChIInChI=1S/C26H28ClN5O3/c27-23-22(25(28)34)21-16-31(10-11-32(21)24(23)18-4-2-1-3-5-18)26(35)29-20-7-6-17-8-9-30(12-13-33)15-19(17)14-20/h1-7,14,33H,8-13,15-16H2,(H2,28,34)(H,29,35)
InChIKeyMMWZLUMKRMDNTF-UHFFFAOYSA-N
XLogP3.31
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.00
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide with MolForge

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Related Compounds

7-chloro-2-N-(4-chlorophenyl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 58761841
7-chloro-2-N-[4-[3-(dimethylamino)propoxy]phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 58761846
7-chloro-2-N-[3-(1,4-diazepane-1-carbonyl)phenyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 59982181
7-chloro-2-[(E)-N-[4-(hydroxymethyl)phenyl]-N'-isocyanocarbamimidoyl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide
CID 58761926
ethyl 4-[(8-carbamoyl-7-chloro-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoate
CID 58761873
N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 26396591
7-cyano-2-N-(2,3-dihydro-1H-inden-2-yl)-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 58762012
N-(3-carbamoyl-4-fluorophenyl)-7-chloro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75434933
7-chloro-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxylic acid;cyclopentylmethanamine
CID 172835325
N-(4-chlorophenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134791783
7-chloro-2-N-(oxan-4-yl)-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 58761884
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 10185071) is 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is NC(=O)c1c(Cl)c(-c2ccccc2)n2c1CN(C(=O)Nc1ccc3c(c1)CN(CCO)CC3)CC2.
What is the InChIKey of 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is MMWZLUMKRMDNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O3/c27-23-22(25(28)34)21-16-31(10-11-32(21)24(23)18-4-2-1-3-5-18)26(35)29-20-7-6-17-8-9-30(12-13-33)15-19(17)14-20/h1-7,14,33H,8-13,15-16H2,(H2,28,34)(H,29,35).
What are the key properties of 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 494.00 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 10185071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).