1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

C313H575N53O7 — CID 159173818

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESC1CC2CCNCC2CN1.C1CC2CNCCC2CN1.C1CCC2CNCCC2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1cc2c([nH]1)CCCC2.c1cc2c([nH]1)CCCC2.c1cc2c([nH]1)CCCO2.c1cc2c([nH]1)CCNC2.c1cc2c([nH]1)CCOC2.c1cc2c([nH]1)CNCC2.c1cc2c([nH]1)COCC2.c1cc2c([nH]1)NCCC2.c1cc2c([nH]1)OCCC2.c1cc2c(nn1)CCNC2.c1cc2c(nn1)CNCC2.c1cnc2c(c1)CNCC2.c1cnc2c(n1)CCNC2.c1nc2c([nH]1)CCCC2.c1nc2c([nH]1)CCCC2.c1nc2c([nH]1)CCCN2.c1nc2c([nH]1)CCCO2.c1nc2c([nH]1)CNCC2.c1nc2c([nH]1)CNCC2.c1nc2c([nH]1)COCC2.c1nc2c([nH]1)COCC2.c1ncc2c(n1)CNCC2.c1nncc2c1CCNC2
InChIInChI=1S/C9H17N.2C8H16N2.C8H10N2.2C8H11N.5C7H9N3.5C7H10N2.4C7H9NO.3C6H9N3.3C6H8N2O.26C5H12/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-2-7-6-9-5-3-8(7)10-4-1;2*1-2-4-8-7(3-1)5-6-9-8;1-4-9-10-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-10-7;1-2-8-3-7-5-10-9-4-6(1)7;1-2-8-4-7-6(1)3-9-5-10-7;1-2-8-5-7-6(1)9-3-4-10-7;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;2*1-2-4-7-6(3-1)8-5-9-7;1-3-8-7-2-4-9-5-6(1)7;1-3-8-7-5-9-4-2-6(1)7;1-2-6-7(9-5-1)3-4-8-6;1-2-6-3-4-8-7(6)9-5-1;2*1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;2*1-2-9-3-6-5(1)7-4-8-6;1-2-5-6(9-3-1)8-4-7-5;26*1-5(2,3)4/h8-10H,1-7H2;2*7-10H,1-6H2;1-2,4,9H,3,5-6H2;2*5-6,9H,1-4H2;1,4,8H,2-3,5H2;2,4,8H,1,3,5H2;4-5,8H,1-3H2;3,5,8H,1-2,4H2;3-4,8H,1-2,5H2;1,4,8-9H,2-3,5H2;2,4,8-9H,1,3,5H2;3,5,8-9H,1-2,4H2;2*5H,1-4H2,(H,8,9);2*1,3,8H,2,4-5H2;2*3-4,8H,1-2,5H2;3*4,7H,1-3H2,(H,8,9);3*4H,1-3H2,(H,7,8);26*1-4H3
InChIKeyKMAIYMHNASZXCT-UHFFFAOYSA-N
MW5193.41 g/mol
LogP73.39
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 159173818) has the molecular formula C313H575N53O7 and a molecular weight of 5193.41 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID159173818
Molecular FormulaC313H575N53O7
Molecular Weight5193.41 g/mol
Exact Mass5189.63
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
SMILESC1CC2CCNCC2CN1.C1CC2CNCCC2CN1.C1CCC2CNCCC2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1cc2c([nH]1)CCCC2.c1cc2c([nH]1)CCCC2.c1cc2c([nH]1)CCCO2.c1cc2c([nH]1)CCNC2.c1cc2c([nH]1)CCOC2.c1cc2c([nH]1)CNCC2.c1cc2c([nH]1)COCC2.c1cc2c([nH]1)NCCC2.c1cc2c([nH]1)OCCC2.c1cc2c(nn1)CCNC2.c1cc2c(nn1)CNCC2.c1cnc2c(c1)CNCC2.c1cnc2c(n1)CCNC2.c1nc2c([nH]1)CCCC2.c1nc2c([nH]1)CCCC2.c1nc2c([nH]1)CCCN2.c1nc2c([nH]1)CCCO2.c1nc2c([nH]1)CNCC2.c1nc2c([nH]1)CNCC2.c1nc2c([nH]1)COCC2.c1nc2c([nH]1)COCC2.c1ncc2c(n1)CNCC2.c1nncc2c1CCNC2
InChIInChI=1S/C9H17N.2C8H16N2.C8H10N2.2C8H11N.5C7H9N3.5C7H10N2.4C7H9NO.3C6H9N3.3C6H8N2O.26C5H12/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-2-7-6-9-5-3-8(7)10-4-1;2*1-2-4-8-7(3-1)5-6-9-8;1-4-9-10-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-10-7;1-2-8-3-7-5-10-9-4-6(1)7;1-2-8-4-7-6(1)3-9-5-10-7;1-2-8-5-7-6(1)9-3-4-10-7;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;2*1-2-4-7-6(3-1)8-5-9-7;1-3-8-7-2-4-9-5-6(1)7;1-3-8-7-5-9-4-2-6(1)7;1-2-6-7(9-5-1)3-4-8-6;1-2-6-3-4-8-7(6)9-5-1;2*1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;2*1-2-9-3-6-5(1)7-4-8-6;1-2-5-6(9-3-1)8-4-7-5;26*1-5(2,3)4/h8-10H,1-7H2;2*7-10H,1-6H2;1-2,4,9H,3,5-6H2;2*5-6,9H,1-4H2;1,4,8H,2-3,5H2;2,4,8H,1,3,5H2;4-5,8H,1-3H2;3,5,8H,1-2,4H2;3-4,8H,1-2,5H2;1,4,8-9H,2-3,5H2;2,4,8-9H,1,3,5H2;3,5,8-9H,1-2,4H2;2*5H,1-4H2,(H,8,9);2*1,3,8H,2,4-5H2;2*3-4,8H,1-2,5H2;3*4,7H,1-3H2,(H,8,9);3*4H,1-3H2,(H,7,8);26*1-4H3
InChIKeyKMAIYMHNASZXCT-UHFFFAOYSA-N
XLogP73.39
TPSA782.46 Ų
H-Bond Donors34
H-Bond Acceptors43
Rotatable Bonds
Heavy Atoms373
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005193.41
LogP ≤ 573.39
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1043

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine with MolForge

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What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine (CID 159173818) is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is C1CC2CCNCC2CN1.C1CC2CNCCC2CN1.C1CCC2CNCCC2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1cc2c([nH]1)CCCC2.c1cc2c([nH]1)CCCC2.c1cc2c([nH]1)CCCO2.c1cc2c([nH]1)CCNC2.c1cc2c([nH]1)CCOC2.c1cc2c([nH]1)CNCC2.c1cc2c([nH]1)COCC2.c1cc2c([nH]1)NCCC2.c1cc2c([nH]1)OCCC2.c1cc2c(nn1)CCNC2.c1cc2c(nn1)CNCC2.c1cnc2c(c1)CNCC2.c1cnc2c(n1)CCNC2.c1nc2c([nH]1)CCCC2.c1nc2c([nH]1)CCCC2.c1nc2c([nH]1)CCCN2.c1nc2c([nH]1)CCCO2.c1nc2c([nH]1)CNCC2.c1nc2c([nH]1)CNCC2.c1nc2c([nH]1)COCC2.c1nc2c([nH]1)COCC2.c1ncc2c(n1)CNCC2.c1nncc2c1CCNC2.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is KMAIYMHNASZXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.2C8H16N2.C8H10N2.2C8H11N.5C7H9N3.5C7H10N2.4C7H9NO.3C6H9N3.3C6H8N2O.26C5H12/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-2-7-6-9-5-3-8(7)10-4-1;2*1-2-4-8-7(3-1)5-6-9-8;1-4-9-10-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-10-7;1-2-8-3-7-5-10-9-4-6(1)7;1-2-8-4-7-6(1)3-9-5-10-7;1-2-8-5-7-6(1)9-3-4-10-7;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;2*1-2-4-7-6(3-1)8-5-9-7;1-3-8-7-2-4-9-5-6(1)7;1-3-8-7-5-9-4-2-6(1)7;1-2-6-7(9-5-1)3-4-8-6;1-2-6-3-4-8-7(6)9-5-1;2*1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;2*1-2-9-3-6-5(1)7-4-8-6;1-2-5-6(9-3-1)8-4-7-5;26*1-5(2,3)4/h8-10H,1-7H2;2*7-10H,1-6H2;1-2,4,9H,3,5-6H2;2*5-6,9H,1-4H2;1,4,8H,2-3,5H2;2,4,8H,1,3,5H2;4-5,8H,1-3H2;3,5,8H,1-2,4H2;3-4,8H,1-2,5H2;1,4,8-9H,2-3,5H2;2,4,8-9H,1,3,5H2;3,5,8-9H,1-2,4H2;2*5H,1-4H2,(H,8,9);2*1,3,8H,2,4-5H2;2*3-4,8H,1-2,5H2;3*4,7H,1-3H2,(H,8,9);3*4H,1-3H2,(H,7,8);26*1-4H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine?
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 5193.41 g/mol, XLogP of 73.39, 0 rotatable bonds, 34 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1H-benzimidazole);4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridine;bis(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine);bis(4,5,6,7-tetrahydro-1H-indole);5,6,7,8-tetrahydro-1,6-naphthyridine;1,4,5,7-tetrahydropyrano[3,4-b]pyrrole;1,4,6,7-tetrahydropyrano[4,3-b]pyrrole;1,5,6,7-tetrahydropyrano[3,2-b]pyrrole;2,3,4,7-tetrahydropyrano[2,3-b]pyrrole;1,5,6,7-tetrahydropyrano[2,3-d]imidazole;bis(3,4,6,7-tetrahydropyrano[3,4-d]imidazole);5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;5,6,7,8-tetrahydropyrido[4,3-c]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyridazine;5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 159173818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).