8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride

C36H37ClN6O — CID 44533968

IUPAC8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride
SMILESCc1cc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CCN8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1.Cl
InChIInChI=1S/C36H36N6O.ClH/c1-23-18-26(19-24(2)38-23)28-7-3-9-30-29(28)8-4-10-32(30)39-36(43)42-15-12-25-20-33-31(21-35(25)42)34(11-13-37-33)41-17-16-40-14-5-6-27(40)22-41;/h3-4,7-11,13,18-21,27H,5-6,12,14-17,22H2,1-2H3,(H,39,43);1H/t27-;/m0./s1
InChIKeyDFVOPCXSZQJTKU-YCBFMBTMSA-N
MW605.19 g/mol
LogP7.37
Rot. Bonds3

About 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride

8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride (PubChem CID 44533968) has the molecular formula C36H37ClN6O and a molecular weight of 605.19 g/mol. Its IUPAC name is 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride
PubChem CID44533968
Molecular FormulaC36H37ClN6O
Molecular Weight605.19 g/mol
Exact Mass604.27
IUPAC Name8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride
SMILESCc1cc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CCN8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1.Cl
InChIInChI=1S/C36H36N6O.ClH/c1-23-18-26(19-24(2)38-23)28-7-3-9-30-29(28)8-4-10-32(30)39-36(43)42-15-12-25-20-33-31(21-35(25)42)34(11-13-37-33)41-17-16-40-14-5-6-27(40)22-41;/h3-4,7-11,13,18-21,27H,5-6,12,14-17,22H2,1-2H3,(H,39,43);1H/t27-;/m0./s1
InChIKeyDFVOPCXSZQJTKU-YCBFMBTMSA-N
XLogP7.37
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.19
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride?
The IUPAC name of 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride (CID 44533968) is 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride.
What is the SMILES notation for 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride?
The canonical SMILES for 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride is Cc1cc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CCN8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1.Cl.
What is the InChIKey of 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride?
The InChIKey is DFVOPCXSZQJTKU-YCBFMBTMSA-N. The full InChI is InChI=1S/C36H36N6O.ClH/c1-23-18-26(19-24(2)38-23)28-7-3-9-30-29(28)8-4-10-32(30)39-36(43)42-15-12-25-20-33-31(21-35(25)42)34(11-13-37-33)41-17-16-40-14-5-6-27(40)22-41;/h3-4,7-11,13,18-21,27H,5-6,12,14-17,22H2,1-2H3,(H,39,43);1H/t27-;/m0./s1.
What are the key properties of 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride?
8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride has a molecular weight of 605.19 g/mol, XLogP of 7.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[5-(2,6-dimethyl-4-pyridinyl)naphthalen-1-yl]-2,3-dihydropyrrolo[2,3-g]quinoline-1-carboxamide;hydrochloride is sourced from PubChem (CID 44533968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).