(6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

C20H20BrN5O — CID 57237293

IUPAC(6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1CC(C(=O)Nc2cnc(Br)cn2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H20BrN5O/c1-26-10-12(20(27)25-18-9-23-17(21)8-24-18)5-14-13-3-2-4-15-19(13)11(7-22-15)6-16(14)26/h2-4,7-9,12,14,16,22H,5-6,10H2,1H3,(H,24,25,27)/t12?,14-,16-/m1/s1
InChIKeyQVXBOIIGGVVSNR-DTQDAUPPSA-N
MW426.32 g/mol
LogP3.32
Rot. Bonds2

About (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

(6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (PubChem CID 57237293) has the molecular formula C20H20BrN5O and a molecular weight of 426.32 g/mol. Its IUPAC name is (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Molecular Properties

Compound Name(6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID57237293
Molecular FormulaC20H20BrN5O
Molecular Weight426.32 g/mol
Exact Mass425.09
IUPAC Name(6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
SMILESCN1CC(C(=O)Nc2cnc(Br)cn2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C20H20BrN5O/c1-26-10-12(20(27)25-18-9-23-17(21)8-24-18)5-14-13-3-2-4-15-19(13)11(7-22-15)6-16(14)26/h2-4,7-9,12,14,16,22H,5-6,10H2,1H3,(H,24,25,27)/t12?,14-,16-/m1/s1
InChIKeyQVXBOIIGGVVSNR-DTQDAUPPSA-N
XLogP3.32
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The IUPAC name of (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CID 57237293) is (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
What is the SMILES notation for (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The canonical SMILES for (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is CN1CC(C(=O)Nc2cnc(Br)cn2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The InChIKey is QVXBOIIGGVVSNR-DTQDAUPPSA-N. The full InChI is InChI=1S/C20H20BrN5O/c1-26-10-12(20(27)25-18-9-23-17(21)8-24-18)5-14-13-3-2-4-15-19(13)11(7-22-15)6-16(14)26/h2-4,7-9,12,14,16,22H,5-6,10H2,1H3,(H,24,25,27)/t12?,14-,16-/m1/s1.
What are the key properties of (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
(6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has a molecular weight of 426.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-N-(5-bromopyrazin-2-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is sourced from PubChem (CID 57237293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).