benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole

C131H219N19O2S — CID 157346766

IUPACbenzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole
SMILESCC(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.O=c1cccc[nH]1.c1c[nH]cn1.c1ccc2[nH]ccc2c1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cnc2occc2c1.c1cnccn1.c1cncnc1.c1cscn1
InChIInChI=1S/C8H7N.2C7H6N2.C7H5NO.C6H6.C5H5NO.C5H5N.13C5H12.3C4H4N2.2C3H4N2.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-6-3-5-9-7(6)8-4-1;1-2-4-6-5-3-1;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;13*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-6,9H;2*1-6H;1-5H;1-6H;1-4H,(H,6,7);1-5H;13*1-4H3;3*1-4H;2*1-3H,(H,4,5);1-3H
InChIKeyBHBGHNDCFCCREV-UHFFFAOYSA-N
MW2124.39 g/mol
LogP39.88
Rot. Bonds

About benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole

benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole (PubChem CID 157346766) has the molecular formula C131H219N19O2S and a molecular weight of 2124.39 g/mol. Its IUPAC name is benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole.

Molecular Properties

Compound Namebenzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole
PubChem CID157346766
Molecular FormulaC131H219N19O2S
Molecular Weight2124.39 g/mol
Exact Mass2122.73
IUPAC Namebenzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole
SMILESCC(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.O=c1cccc[nH]1.c1c[nH]cn1.c1ccc2[nH]ccc2c1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cnc2occc2c1.c1cnccn1.c1cncnc1.c1cscn1
InChIInChI=1S/C8H7N.2C7H6N2.C7H5NO.C6H6.C5H5NO.C5H5N.13C5H12.3C4H4N2.2C3H4N2.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-6-3-5-9-7(6)8-4-1;1-2-4-6-5-3-1;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;13*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-6,9H;2*1-6H;1-5H;1-6H;1-4H,(H,6,7);1-5H;13*1-4H3;3*1-4H;2*1-3H,(H,4,5);1-3H
InChIKeyBHBGHNDCFCCREV-UHFFFAOYSA-N
XLogP39.88
TPSA269.76 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002124.39
LogP ≤ 539.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 157634317
1-cyclopentyl-N-[[5-[3-(7-thiophen-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-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 158576601
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;3,3-dimethyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158732130
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 159123278
N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine
CID 159208500
N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 159218631
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 159561098
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-[[2-(cyclopenten-1-yl)furan-3-yl]methyl]-6-(1-cyclopropylethenyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(4-pyrrolidin-3-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-(3-methylbut-1-en-2-yl)-8-[(2-pyrrolidin-3-ylpyrazol-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;methane;6-pentan-3-yl-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[(1-pyridin-4-ylimidazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159590643
1H-benzimidazole;5-(1,1-difluoroethyl)-1H-pyrazole;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;imidazo[1,2-a]pyridine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
CID 159652200
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methyl-1H-imidazol-3-ium-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 159968877

Frequently Asked Questions

What is the IUPAC name of benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole?
The IUPAC name of benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole (CID 157346766) is benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole.
What is the SMILES notation for benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole?
The canonical SMILES for benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole is 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.O=c1cccc[nH]1.c1c[nH]cn1.c1ccc2[nH]ccc2c1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cnc2occc2c1.c1cnccn1.c1cncnc1.c1cscn1.
What is the InChIKey of benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole?
The InChIKey is BHBGHNDCFCCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.2C7H6N2.C7H5NO.C6H6.C5H5NO.C5H5N.13C5H12.3C4H4N2.2C3H4N2.C3H3NS/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-6-3-5-9-7(6)8-4-1;1-2-4-6-5-3-1;7-5-3-1-2-4-6-5;1-2-4-6-5-3-1;13*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-6,9H;2*1-6H;1-5H;1-6H;1-4H,(H,6,7);1-5H;13*1-4H3;3*1-4H;2*1-3H,(H,4,5);1-3H.
What are the key properties of benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole?
benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole has a molecular weight of 2124.39 g/mol, XLogP of 39.88, 0 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole is sourced from PubChem (CID 157346766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).