2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C125H128N44S — CID 157430700

IUPAC2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=NC2=C(C1)CNCC2.C1=NCC2=C1CCNC2.c1cc2cn[nH]c2cn1.c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2c[nH]cc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnn2cccc2c1.c1n[nH]c2c1CNCC2.c1nc2c([nH]1)CNCC2.c1nc2c(s1)CCCC2.c1ncc2[nH]cnc2n1
InChIInChI=1S/2C8H7N.C7H10N2.C7H6N2.C7H10N2.3C7H6N2.C7H9NS.C7H9N.C6H5N3.2C6H9N3.5C6H5N3.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-4-9-7-2-3-8-5-6(1)7;1-3-7-4-2-6-9(7)8-5-1;1-2-8-4-7-5-9-3-6(1)7;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-5-4-8-9-6(1)5;2*1-2-7-3-6-5(1)8-4-9-6;1-2-7-4-6-5(1)3-8-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-4-5(8-2-6-1)9-3-7-4/h1-7H;1-6,9H;4,8H,1-3,5H2;1-6H;3,8H,1-2,4-5H2;3*1-6H;5H,1-4H2;1,3,5H,2,4,6H2;1-5H;2*4,7H,1-3H2,(H,8,9);2*1-4H,(H,8,9);3*1-5H;1-3H,(H,6,7,8,9)
InChIKeyBQMOONFLOXHKFM-UHFFFAOYSA-N
MW2278.77 g/mol
LogP19.27
Rot. Bonds

About 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157430700) has the molecular formula C125H128N44S and a molecular weight of 2278.77 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID157430700
Molecular FormulaC125H128N44S
Molecular Weight2278.77 g/mol
Exact Mass2277.11
IUPAC Name2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=NC2=C(C1)CNCC2.C1=NCC2=C1CCNC2.c1cc2cn[nH]c2cn1.c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2c[nH]cc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnn2cccc2c1.c1n[nH]c2c1CNCC2.c1nc2c([nH]1)CNCC2.c1nc2c(s1)CCCC2.c1ncc2[nH]cnc2n1
InChIInChI=1S/2C8H7N.C7H10N2.C7H6N2.C7H10N2.3C7H6N2.C7H9NS.C7H9N.C6H5N3.2C6H9N3.5C6H5N3.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-4-9-7-2-3-8-5-6(1)7;1-3-7-4-2-6-9(7)8-5-1;1-2-8-4-7-5-9-3-6(1)7;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-5-4-8-9-6(1)5;2*1-2-7-3-6-5(1)8-4-9-6;1-2-7-4-6-5(1)3-8-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-4-5(8-2-6-1)9-3-7-4/h1-7H;1-6,9H;4,8H,1-3,5H2;1-6H;3,8H,1-2,4-5H2;3*1-6H;5H,1-4H2;1,3,5H,2,4,6H2;1-5H;2*4,7H,1-3H2,(H,8,9);2*1-4H,(H,8,9);3*1-5H;1-3H,(H,6,7,8,9)
InChIKeyBQMOONFLOXHKFM-UHFFFAOYSA-N
XLogP19.27
TPSA495.78 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002278.77
LogP ≤ 519.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Analyze 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
5-[7-[2-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorothiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]pyridin-3-amine
CID 137108100
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664888
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methyl-3H-benzimidazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158248038
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine;5-pyridin-3-yl-3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 159506205
1-cyclopentyl-N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 159647330
2-[[5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1,3-benzothiazole;6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine;2-[4-[3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[4-[3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-4H-pyrazol-1-ium-1-yl]ethanol;3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 160132828
6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 160547492
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 161034391
US20240109900, Example 482
CID 171410007
5-[3-[7-[3-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,6-dihydropyrazolo[5,4-b]pyridin-7-yl]-5-methylthiophen-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]pyridin-3-amine
CID 162602273

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 157430700) is 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is C1=NC2=C(C1)CNCC2.C1=NCC2=C1CCNC2.c1cc2cn[nH]c2cn1.c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2c[nH]cc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnn2cccc2c1.c1n[nH]c2c1CNCC2.c1nc2c([nH]1)CNCC2.c1nc2c(s1)CCCC2.c1ncc2[nH]cnc2n1.
What is the InChIKey of 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BQMOONFLOXHKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.C7H10N2.C7H6N2.C7H10N2.3C7H6N2.C7H9NS.C7H9N.C6H5N3.2C6H9N3.5C6H5N3.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-4-9-7-2-3-8-5-6(1)7;1-3-7-4-2-6-9(7)8-5-1;1-2-8-4-7-5-9-3-6(1)7;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-5-4-8-9-6(1)5;2*1-2-7-3-6-5(1)8-4-9-6;1-2-7-4-6-5(1)3-8-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-4-5(8-2-6-1)9-3-7-4/h1-7H;1-6,9H;4,8H,1-3,5H2;1-6H;3,8H,1-2,4-5H2;3*1-6H;5H,1-4H2;1,3,5H,2,4,6H2;1-5H;2*4,7H,1-3H2,(H,8,9);2*1-4H,(H,8,9);3*1-5H;1-3H,(H,6,7,8,9).
What are the key properties of 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2278.77 g/mol, XLogP of 19.27, 0 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;3H-imidazo[4,5-c]pyridine;imidazo[1,2-c]pyrimidine;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-c]pyridine;pyrrolo[1,2-b]pyridazine;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157430700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).