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

C36H36N6O — CID 44533969

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
SMILESCc1cc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CCN8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1
InChIInChI=1S/C36H36N6O/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)/t27-/m0/s1
InChIKeyGEOVAMUXTPKIOO-MHZLTWQESA-N
MW568.73 g/mol
LogP6.95
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

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 (PubChem CID 44533969) has the molecular formula C36H36N6O and a molecular weight of 568.73 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.

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
PubChem CID44533969
Molecular FormulaC36H36N6O
Molecular Weight568.73 g/mol
Exact Mass568.30
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
SMILESCc1cc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CCN8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1
InChIInChI=1S/C36H36N6O/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)/t27-/m0/s1
InChIKeyGEOVAMUXTPKIOO-MHZLTWQESA-N
XLogP6.95
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.73
LogP ≤ 56.95
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 with MolForge

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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?
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 (CID 44533969) 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.
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?
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 is Cc1cc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CCN8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1.
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?
The InChIKey is GEOVAMUXTPKIOO-MHZLTWQESA-N. The full InChI is InChI=1S/C36H36N6O/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)/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?
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 has a molecular weight of 568.73 g/mol, XLogP of 6.95, 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 is sourced from PubChem (CID 44533969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).