1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine

C204H166N50O18 — CID 165001451

IUPAC1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine
SMILESC1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=NCc2cccnc21.C1=NCc2ccncc21.C1=NCc2cnccc21.C1=NCc2ncccc21.C1=NCc2nccnc21.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.C1=Nc2nccnc2C1.O=C1C=CC=CC1.O=C1NCc2ccccc21.O=C1NCc2cccnc21.c1cc2ccoc2cn1.c1cc2cnoc2cn1.c1cc2occc2cn1.c1cc2oncc2cn1.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccc2cnncc2c1.c1cnc2c(n1)OCO2.c1cnc2ccoc2c1.c1cnc2cnoc2c1.c1cnc2occc2n1.c1cnc2oncc2c1.c1cnc2oncc2n1
InChIInChI=1S/C8H6N2.C8H7NO.3C8H7N.C8H8O2.C7H6N2O.9C7H6N2.3C7H5NO.C7H6O2.2C6H5N3.5C6H4N2O.C6H6O.C5H3N3O.C5H4N2O2/c1-2-4-8-6-10-9-5-7(8)3-1;10-8-7-4-2-1-3-6(7)5-9-8;1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-7(3-1)9-5-6-10-8;10-7-6-5(4-9-7)2-1-3-8-6;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;2*1-2-8-4-7-5-9-3-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;2*1-2-6-4-8-5-7(6)9-3-1;1-2-6-7(3-1)9-5-4-8-6;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-9-6-4-7-3-5(6)8-1;1-2-8-6-5(1)7-3-4-9-6;1-4-9-6-5(1)7-2-3-8-6;1-2-7-3-5-4-8-9-6(1)5;1-2-7-4-6-5(1)3-8-9-6;1-2-6-5(7-3-1)4-8-9-6;1-2-5-4-8-9-6(5)7-3-1;7-6-4-2-1-3-5-6;1-2-7-5-4(6-1)3-8-9-5;1-2-7-5-4(6-1)8-3-9-5/h1-6H;1-4H,5H2,(H,9,10);1-2,4-6H,3H2;1,3-6H,2H2;1-2,4-6H,3H2;1-4H,5-6H2;1-3H,4H2,(H,9,10);2-5H,1H2;1,3-5H,2H2;1-2,4-5H,3H2;1-4H,5H2;2*1-2,4-5H,3H2;1-3,5H,4H2;1-4H,5H2;1-2,4-5H,3H2;3*1-5H;1-4H,5H2;1-3H,4H2;2-4H,1H2;5*1-4H;1-4H,5H2;1-3H;1-2H,3H2
InChIKeyIHRVCJGEMZNCIC-UHFFFAOYSA-N
MW3605.90 g/mol
LogP35.81
Rot. Bonds

About 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine

1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine (PubChem CID 165001451) has the molecular formula C204H166N50O18 and a molecular weight of 3605.90 g/mol. Its IUPAC name is 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine
PubChem CID165001451
Molecular FormulaC204H166N50O18
Molecular Weight3605.90 g/mol
Exact Mass3603.36
IUPAC Name1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine
SMILESC1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=NCc2cccnc21.C1=NCc2ccncc21.C1=NCc2cnccc21.C1=NCc2ncccc21.C1=NCc2nccnc21.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.C1=Nc2nccnc2C1.O=C1C=CC=CC1.O=C1NCc2ccccc21.O=C1NCc2cccnc21.c1cc2ccoc2cn1.c1cc2cnoc2cn1.c1cc2occc2cn1.c1cc2oncc2cn1.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccc2cnncc2c1.c1cnc2c(n1)OCO2.c1cnc2ccoc2c1.c1cnc2cnoc2c1.c1cnc2occc2n1.c1cnc2oncc2c1.c1cnc2oncc2n1
InChIInChI=1S/C8H6N2.C8H7NO.3C8H7N.C8H8O2.C7H6N2O.9C7H6N2.3C7H5NO.C7H6O2.2C6H5N3.5C6H4N2O.C6H6O.C5H3N3O.C5H4N2O2/c1-2-4-8-6-10-9-5-7(8)3-1;10-8-7-4-2-1-3-6(7)5-9-8;1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-7(3-1)9-5-6-10-8;10-7-6-5(4-9-7)2-1-3-8-6;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;2*1-2-8-4-7-5-9-3-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;2*1-2-6-4-8-5-7(6)9-3-1;1-2-6-7(3-1)9-5-4-8-6;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-9-6-4-7-3-5(6)8-1;1-2-8-6-5(1)7-3-4-9-6;1-4-9-6-5(1)7-2-3-8-6;1-2-7-3-5-4-8-9-6(1)5;1-2-7-4-6-5(1)3-8-9-6;1-2-6-5(7-3-1)4-8-9-6;1-2-5-4-8-9-6(5)7-3-1;7-6-4-2-1-3-5-6;1-2-7-5-4(6-1)3-8-9-5;1-2-7-5-4(6-1)8-3-9-5/h1-6H;1-4H,5H2,(H,9,10);1-2,4-6H,3H2;1,3-6H,2H2;1-2,4-6H,3H2;1-4H,5-6H2;1-3H,4H2,(H,9,10);2-5H,1H2;1,3-5H,2H2;1-2,4-5H,3H2;1-4H,5H2;2*1-2,4-5H,3H2;1-3,5H,4H2;1-4H,5H2;1-2,4-5H,3H2;3*1-5H;1-4H,5H2;1-3H,4H2;2-4H,1H2;5*1-4H;1-4H,5H2;1-3H;1-2H,3H2
InChIKeyIHRVCJGEMZNCIC-UHFFFAOYSA-N
XLogP35.81
TPSA862.33 Ų
H-Bond Donors2
H-Bond Acceptors66
Rotatable Bonds
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003605.90
LogP ≤ 535.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1066

Analyze 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine (CID 165001451) is 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine is C1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=NCc2cccnc21.C1=NCc2ccncc21.C1=NCc2cnccc21.C1=NCc2ncccc21.C1=NCc2nccnc21.C1=Nc2cccnc2C1.C1=Nc2ccncc2C1.C1=Nc2cnccc2C1.C1=Nc2ncccc2C1.C1=Nc2nccnc2C1.O=C1C=CC=CC1.O=C1NCc2ccccc21.O=C1NCc2cccnc21.c1cc2ccoc2cn1.c1cc2cnoc2cn1.c1cc2occc2cn1.c1cc2oncc2cn1.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccc2cnncc2c1.c1cnc2c(n1)OCO2.c1cnc2ccoc2c1.c1cnc2cnoc2c1.c1cnc2occc2n1.c1cnc2oncc2c1.c1cnc2oncc2n1.
What is the InChIKey of 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine?
The InChIKey is IHRVCJGEMZNCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C8H7NO.3C8H7N.C8H8O2.C7H6N2O.9C7H6N2.3C7H5NO.C7H6O2.2C6H5N3.5C6H4N2O.C6H6O.C5H3N3O.C5H4N2O2/c1-2-4-8-6-10-9-5-7(8)3-1;10-8-7-4-2-1-3-6(7)5-9-8;1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-7(3-1)9-5-6-10-8;10-7-6-5(4-9-7)2-1-3-8-6;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;2*1-2-8-4-7-5-9-3-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;2*1-2-6-4-8-5-7(6)9-3-1;1-2-6-7(3-1)9-5-4-8-6;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-9-6-4-7-3-5(6)8-1;1-2-8-6-5(1)7-3-4-9-6;1-4-9-6-5(1)7-2-3-8-6;1-2-7-3-5-4-8-9-6(1)5;1-2-7-4-6-5(1)3-8-9-6;1-2-6-5(7-3-1)4-8-9-6;1-2-5-4-8-9-6(5)7-3-1;7-6-4-2-1-3-5-6;1-2-7-5-4(6-1)3-8-9-5;1-2-7-5-4(6-1)8-3-9-5/h1-6H;1-4H,5H2,(H,9,10);1-2,4-6H,3H2;1,3-6H,2H2;1-2,4-6H,3H2;1-4H,5-6H2;1-3H,4H2,(H,9,10);2-5H,1H2;1,3-5H,2H2;1-2,4-5H,3H2;1-4H,5H2;2*1-2,4-5H,3H2;1-3,5H,4H2;1-4H,5H2;1-2,4-5H,3H2;3*1-5H;1-4H,5H2;1-3H,4H2;2-4H,1H2;5*1-4H;1-4H,5H2;1-3H;1-2H,3H2.
What are the key properties of 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine?
1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine has a molecular weight of 3605.90 g/mol, XLogP of 35.81, 0 rotatable bonds, 2 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;cyclohexa-2,4-dien-1-one;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;2,3-dihydro-1,4-benzodioxine;2,3-dihydroisoindol-1-one;5,6-dihydropyrrolo[3,4-b]pyridin-7-one;[1,3]dioxolo[4,5-b]pyrazine;furo[2,3-b]pyrazine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;[1,2]oxazolo[4,5-b]pyrazine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;[1,2]oxazolo[4,5-c]pyridine;[1,2]oxazolo[5,4-c]pyridine;phthalazine;7H-pyrrolo[2,3-b]pyrazine;7H-pyrrolo[3,4-b]pyrazine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;5H-pyrrolo[3,4-b]pyridine;7H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[2,3-c]pyridine;3H-pyrrolo[3,2-c]pyridine;3H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 165001451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).