1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C97H93N31OS — CID 157497115

IUPAC1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1COCCN1.C=C1C=CC=CN1.C=C1C=CC=NN1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cnccn1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C9H7N.C8H6N2.3C7H6N2.C7H5NS.2C6H5N3.C6H7N.C5H6N2.2C5H5N.3C4H4N2.C4H9NO.C3H3N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;2*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-3-6-4-2-5-1;1-4-2-6-3-5-1/h1-7H;1-6H;2*1-6H;1-5H,(H,8,9);3*1-5H;2-5,7H,1H2;2-4,7H,1H2;2*1-5H;3*1-4H;5H,1-4H2;1-3H
InChIKeyBXYSYUDSPGLTRY-UHFFFAOYSA-N
MW1741.09 g/mol
LogP16.74
Rot. Bonds

About 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157497115) has the molecular formula C97H93N31OS and a molecular weight of 1741.09 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID157497115
Molecular FormulaC97H93N31OS
Molecular Weight1741.09 g/mol
Exact Mass1739.79
IUPAC Name1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1COCCN1.C=C1C=CC=CN1.C=C1C=CC=NN1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cnccn1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C9H7N.C8H6N2.3C7H6N2.C7H5NS.2C6H5N3.C6H7N.C5H6N2.2C5H5N.3C4H4N2.C4H9NO.C3H3N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;2*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-3-6-4-2-5-1;1-4-2-6-3-5-1/h1-7H;1-6H;2*1-6H;1-5H,(H,8,9);3*1-5H;2-5,7H,1H2;2-4,7H,1H2;2*1-5H;3*1-4H;5H,1-4H2;1-3H
InChIKeyBXYSYUDSPGLTRY-UHFFFAOYSA-N
XLogP16.74
TPSA374.69 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001741.09
LogP ≤ 516.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

(E)-2-(2-(3-(6-(4H-1,2,4-Triazol-3-ylthio)pyridin-3-yl)-8-morpholinoimidazo[1,2-b]pyridazin-2-yl)vinyl)quinoline
CID 86582613
1H-benzimidazole;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;1H-imidazole;isoquinoline;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;1,2,4-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 157705336
4,6-dimethyl-2-propan-2-ylpyrimidine;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,6-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine;1-methyl-3-propan-2-ylpyrazole;bis(4-methyl-2-propan-2-yl-1,3-thiazole);5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;4-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4,5-dihydro-1,3-thiazole;3-propan-2-ylisoquinoline;2-propan-2-yl-4-pyridin-3-yl-1,3-thiazole;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 157734190
1H-benzimidazole;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;1H-imidazole;isoquinoline;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 159230519
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
tetrakis(1H-benzimidazole);4-tert-butylpyridine;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;3,5-dimethylpyridine;ethane;1H-imidazole;isoquinoline;3-methylpyridine;4-methylpyridine;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;toluene;1,3,5-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 160668527
N-tert-butyl-1,3-benzothiazol-2-amine;bis(N-tert-butyl-1,3-dihydroindol-2-imine);N-tert-butyl-1-methylbenzimidazol-2-amine;4-tert-butylmorpholine;3,3-difluoro-1-propan-2-ylazetidine;2-(2,2-dimethylpropyl)naphthalene;2-(2,2-dimethylpropyl)quinoline;3-(2,2-dimethylpropyl)quinoline;N-methyl-N-propan-2-ylcyclopropanamine;1-methyl-N-propan-2-ylindazol-3-amine;2-methyl-N-propan-2-ylpropan-1-amine;2-methyl-N-propan-2-ylpropan-2-amine;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;6-(2-methylpropyl)isoquinoline;N-propan-2-ylcyclopropanamine;N-propan-2-yl-1H-indazol-3-amine;N-propan-2-ylnaphthalen-1-amine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 165110879
5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline
CID 87097933
3-[[2-ethoxyethyl(ethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(2-methylbutan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-ethyl-N-[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-ethyl-N-(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine;6-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 123677597
(3R)-3-methyl-4-[4-(2-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
CID 135313206
4-[4-(5-methylsulfanyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine;4-[8-(1H-pyrazol-5-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
CID 135313577
4-[2-[7-[2-[2-[8-[2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridin-6-yl]-9H-imidazo[4,5-h]quinolin-2-yl]ethyl]-7-methylpyrazolo[1,5-a]pyrazin-4-yl]-4-methylpyrazolo[1,5-a]pyrazin-2-yl]ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 137284663

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 157497115) is 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is C1COCCN1.C=C1C=CC=CN1.C=C1C=CC=NN1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1cnccn1.c1cnccn1.c1cncnc1.c1ncncn1.
What is the InChIKey of 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BXYSYUDSPGLTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H6N2.3C7H6N2.C7H5NS.2C6H5N3.C6H7N.C5H6N2.2C5H5N.3C4H4N2.C4H9NO.C3H3N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;2*1-2-4-6-5-3-1;2*1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-3-6-4-2-5-1;1-4-2-6-3-5-1/h1-7H;1-6H;2*1-6H;1-5H,(H,8,9);3*1-5H;2-5,7H,1H2;2-4,7H,1H2;2*1-5H;3*1-4H;5H,1-4H2;1-3H.
What are the key properties of 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1741.09 g/mol, XLogP of 16.74, 0 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;6-methylidene-1H-pyridazine;2-methylidene-1H-pyridine;morpholine;pyrazine;pyrazolo[1,5-a]pyridine;bis(pyridine);pyrimidine;quinoline;quinoxaline;1,3,5-triazine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157497115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).