benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole

C127H210N16OS2 — CID 158932463

IUPACbenzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole
SMILESC1=CCN=C1.C=C1C=CC=CN1.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)c1cncs1.CC(C)(C)c1nccs1.CC(C)C.c1c[nH]cn1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1cnc2occc2c1.c1cnccn1
InChIInChI=1S/2C7H6N2.C7H5NO.2C7H11NS.C6H7N.C6H6.3C5H5N.10C5H12.C4H4N2.C4H5N.C4H10.C3H4N2/c1-2-6-9-7(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;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6-4-2-3-5-7-6;4*1-2-4-6-5-3-1;10*1-5(2,3)4;1-2-6-4-3-5-1;1-2-4-5-3-1;1-4(2)3;1-2-5-3-4-1/h2*1-6H;1-5H;2*4-5H,1-3H3;2-5,7H,1H2;1-6H;3*1-5H;10*1-4H3;1-4H;1-3H,4H2;4H,1-3H3;1-3H,(H,4,5)
InChIKeyJJFVLYQBOJAIKY-UHFFFAOYSA-N
MW2041.32 g/mol
LogP39.18
Rot. Bonds

About benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole

benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole (PubChem CID 158932463) has the molecular formula C127H210N16OS2 and a molecular weight of 2041.32 g/mol. Its IUPAC name is benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole.

Molecular Properties

Compound Namebenzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole
PubChem CID158932463
Molecular FormulaC127H210N16OS2
Molecular Weight2041.32 g/mol
Exact Mass2039.63
IUPAC Namebenzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole
SMILESC1=CCN=C1.C=C1C=CC=CN1.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)c1cncs1.CC(C)(C)c1nccs1.CC(C)C.c1c[nH]cn1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1cnc2occc2c1.c1cnccn1
InChIInChI=1S/2C7H6N2.C7H5NO.2C7H11NS.C6H7N.C6H6.3C5H5N.10C5H12.C4H4N2.C4H5N.C4H10.C3H4N2/c1-2-6-9-7(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;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6-4-2-3-5-7-6;4*1-2-4-6-5-3-1;10*1-5(2,3)4;1-2-6-4-3-5-1;1-2-4-5-3-1;1-4(2)3;1-2-5-3-4-1/h2*1-6H;1-5H;2*4-5H,1-3H3;2-5,7H,1H2;1-6H;3*1-5H;10*1-4H3;1-4H;1-3H,4H2;4H,1-3H3;1-3H,(H,4,5)
InChIKeyJJFVLYQBOJAIKY-UHFFFAOYSA-N
XLogP39.18
TPSA203.93 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002041.32
LogP ≤ 539.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole with MolForge

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Related Compounds

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
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-[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;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 160112052
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;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 160265792
1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 160496884
7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 160608168
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]-3-methylbutanamide;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]cyclohexanecarboxamide
CID 161612650
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]-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 162029892

Frequently Asked Questions

What is the IUPAC name of benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole?
The IUPAC name of benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole (CID 158932463) is benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole.
What is the SMILES notation for benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole?
The canonical SMILES for benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole is C1=CCN=C1.C=C1C=CC=CN1.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)c1cncs1.CC(C)(C)c1nccs1.CC(C)C.c1c[nH]cn1.c1ccccc1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1cnc2occc2c1.c1cnccn1.
What is the InChIKey of benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole?
The InChIKey is JJFVLYQBOJAIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2.C7H5NO.2C7H11NS.C6H7N.C6H6.3C5H5N.10C5H12.C4H4N2.C4H5N.C4H10.C3H4N2/c1-2-6-9-7(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;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6-4-2-3-5-7-6;4*1-2-4-6-5-3-1;10*1-5(2,3)4;1-2-6-4-3-5-1;1-2-4-5-3-1;1-4(2)3;1-2-5-3-4-1/h2*1-6H;1-5H;2*4-5H,1-3H3;2-5,7H,1H2;1-6H;3*1-5H;10*1-4H3;1-4H;1-3H,4H2;4H,1-3H3;1-3H,(H,4,5).
What are the key properties of benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole?
benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole has a molecular weight of 2041.32 g/mol, XLogP of 39.18, 0 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;decakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;2-methylpropane;pyrazine;pyrazolo[1,5-a]pyridine;tris(pyridine);2H-pyrrole is sourced from PubChem (CID 158932463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).