5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine

C105H149Cl3N22O5 — CID 159490875

IUPAC5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
SMILESCN1CCC[C@H]1c1cnc(Cl)c2c1CCCO2.CN1CCC[C@H]1c1cnc(Cl)c2c1OCCC2.CN1CCC[C@H]1c1cnc(Cl)c2c1OCCO2.CN1CCC[C@H]1c1cncc2c1CCCN2.CN1CCC[C@H]1c1cncc2c1NCCN2.Cc1ncc([C@@H]2CCCN2C)c2c1CCCN2.Cc1ncc([C@@H]2CCCN2C)c2c1CCCN2C.Cc1ncc([C@@H]2CCCN2C)c2c1OCCN2
InChIInChI=1S/C15H23N3.C14H21N3.2C13H17ClN2O.C13H19N3O.C13H19N3.C12H15ClN2O2.C12H18N4/c1-11-12-6-4-9-18(3)15(12)13(10-16-11)14-7-5-8-17(14)2;1-10-11-5-3-7-15-14(11)12(9-16-10)13-6-4-8-17(13)2;1-16-6-2-5-11(16)10-8-15-13(14)9-4-3-7-17-12(9)10;1-16-6-2-5-11(16)10-8-15-13(14)12-9(10)4-3-7-17-12;1-9-13-12(14-5-7-17-13)10(8-15-9)11-4-3-6-16(11)2;1-16-7-3-5-13(16)11-8-14-9-12-10(11)4-2-6-15-12;1-15-4-2-3-9(15)8-7-14-12(13)11-10(8)16-5-6-17-11;1-16-6-2-3-11(16)9-7-13-8-10-12(9)15-5-4-14-10/h10,14H,4-9H2,1-3H3;9,13,15H,3-8H2,1-2H3;2*8,11H,2-7H2,1H3;8,11,14H,3-7H2,1-2H3;8-9,13,15H,2-7H2,1H3;7,9H,2-6H2,1H3;7-8,11,14-15H,2-6H2,1H3/t14-;13-;3*11-;13-;9-;11-/m00000000/s1
InChIKeyLYEDTYLHTMYQSW-WCWGOFAQSA-N
MW1905.85 g/mol
LogP18.83
Rot. Bonds8

About 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine

5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine (PubChem CID 159490875) has the molecular formula C105H149Cl3N22O5 and a molecular weight of 1905.85 g/mol. Its IUPAC name is 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
PubChem CID159490875
Molecular FormulaC105H149Cl3N22O5
Molecular Weight1905.85 g/mol
Exact Mass1903.11
IUPAC Name5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
SMILESCN1CCC[C@H]1c1cnc(Cl)c2c1CCCO2.CN1CCC[C@H]1c1cnc(Cl)c2c1OCCC2.CN1CCC[C@H]1c1cnc(Cl)c2c1OCCO2.CN1CCC[C@H]1c1cncc2c1CCCN2.CN1CCC[C@H]1c1cncc2c1NCCN2.Cc1ncc([C@@H]2CCCN2C)c2c1CCCN2.Cc1ncc([C@@H]2CCCN2C)c2c1CCCN2C.Cc1ncc([C@@H]2CCCN2C)c2c1OCCN2
InChIInChI=1S/C15H23N3.C14H21N3.2C13H17ClN2O.C13H19N3O.C13H19N3.C12H15ClN2O2.C12H18N4/c1-11-12-6-4-9-18(3)15(12)13(10-16-11)14-7-5-8-17(14)2;1-10-11-5-3-7-15-14(11)12(9-16-10)13-6-4-8-17(13)2;1-16-6-2-5-11(16)10-8-15-13(14)9-4-3-7-17-12(9)10;1-16-6-2-5-11(16)10-8-15-13(14)12-9(10)4-3-7-17-12;1-9-13-12(14-5-7-17-13)10(8-15-9)11-4-3-6-16(11)2;1-16-7-3-5-13(16)11-8-14-9-12-10(11)4-2-6-15-12;1-15-4-2-3-9(15)8-7-14-12(13)11-10(8)16-5-6-17-11;1-16-6-2-3-11(16)9-7-13-8-10-12(9)15-5-4-14-10/h10,14H,4-9H2,1-3H3;9,13,15H,3-8H2,1-2H3;2*8,11H,2-7H2,1H3;8,11,14H,3-7H2,1-2H3;8-9,13,15H,2-7H2,1H3;7,9H,2-6H2,1H3;7-8,11,14-15H,2-6H2,1H3/t14-;13-;3*11-;13-;9-;11-/m00000000/s1
InChIKeyLYEDTYLHTMYQSW-WCWGOFAQSA-N
XLogP18.83
TPSA238.58 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds8
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.85
LogP ≤ 518.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine with MolForge

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Related Compounds

5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;1,4,5-trimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine
CID 157367530
5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
CID 159766418
5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;5-methoxy-1-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine
CID 160303600
5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-1,6-naphthyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-1,7-naphthyridine;5-methoxy-1,4-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyrido[3,4-b]pyrazine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-2,6-naphthyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine;8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine;4-[(2S)-1-methylpyrrolidin-2-yl]-2,7-naphthyridine
CID 160409973
5-(1-benzofuran-2-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;5-methoxy-1-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;bis(5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine);sulfane
CID 160432642

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
The IUPAC name of 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine (CID 159490875) is 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
The canonical SMILES for 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine is CN1CCC[C@H]1c1cnc(Cl)c2c1CCCO2.CN1CCC[C@H]1c1cnc(Cl)c2c1OCCC2.CN1CCC[C@H]1c1cnc(Cl)c2c1OCCO2.CN1CCC[C@H]1c1cncc2c1CCCN2.CN1CCC[C@H]1c1cncc2c1NCCN2.Cc1ncc([C@@H]2CCCN2C)c2c1CCCN2.Cc1ncc([C@@H]2CCCN2C)c2c1CCCN2C.Cc1ncc([C@@H]2CCCN2C)c2c1OCCN2.
What is the InChIKey of 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
The InChIKey is LYEDTYLHTMYQSW-WCWGOFAQSA-N. The full InChI is InChI=1S/C15H23N3.C14H21N3.2C13H17ClN2O.C13H19N3O.C13H19N3.C12H15ClN2O2.C12H18N4/c1-11-12-6-4-9-18(3)15(12)13(10-16-11)14-7-5-8-17(14)2;1-10-11-5-3-7-15-14(11)12(9-16-10)13-6-4-8-17(13)2;1-16-6-2-5-11(16)10-8-15-13(14)9-4-3-7-17-12(9)10;1-16-6-2-5-11(16)10-8-15-13(14)12-9(10)4-3-7-17-12;1-9-13-12(14-5-7-17-13)10(8-15-9)11-4-3-6-16(11)2;1-16-7-3-5-13(16)11-8-14-9-12-10(11)4-2-6-15-12;1-15-4-2-3-9(15)8-7-14-12(13)11-10(8)16-5-6-17-11;1-16-6-2-3-11(16)9-7-13-8-10-12(9)15-5-4-14-10/h10,14H,4-9H2,1-3H3;9,13,15H,3-8H2,1-2H3;2*8,11H,2-7H2,1H3;8,11,14H,3-7H2,1-2H3;8-9,13,15H,2-7H2,1H3;7,9H,2-6H2,1H3;7-8,11,14-15H,2-6H2,1H3/t14-;13-;3*11-;13-;9-;11-/m00000000/s1.
What are the key properties of 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine?
5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine has a molecular weight of 1905.85 g/mol, XLogP of 18.83, 8 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine;5-chloro-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine;8-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine;1,5-dimethyl-8-[(2S)-1-methylpyrrolidin-2-yl]-3,4-dihydro-2H-1,6-naphthyridine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine;5-methyl-8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,6-naphthyridine;5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;8-[(2S)-1-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 159490875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).