cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine

C96H142N20S3 — CID 159187769

IUPACcumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1ncncn1
InChIInChI=1S/C9H12.3C8H11N.2C7H10N2.C7H11N.C6H9N3.3C6H10N2.3C6H9NS/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-6,8H,1-2H3;3-5H,1-2H3;3*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3
InChIKeyKNRYSPYZNVTPCS-UHFFFAOYSA-N
MW1672.53 g/mol
LogP27.16
Rot. Bonds14

About cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine

cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine (PubChem CID 159187769) has the molecular formula C96H142N20S3 and a molecular weight of 1672.53 g/mol. Its IUPAC name is cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Namecumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine
PubChem CID159187769
Molecular FormulaC96H142N20S3
Molecular Weight1672.53 g/mol
Exact Mass1671.09
IUPAC Namecumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1ncncn1
InChIInChI=1S/C9H12.3C8H11N.2C7H10N2.C7H11N.C6H9N3.3C6H10N2.3C6H9NS/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-6,8H,1-2H3;3-5H,1-2H3;3*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3
InChIKeyKNRYSPYZNVTPCS-UHFFFAOYSA-N
XLogP27.16
TPSA269.40 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001672.53
LogP ≤ 527.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137110894
5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
CID 88922364
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
N-[[5-[4-fluoro-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136946953
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
2-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-5-methyl-1,3-thiazole
CID 137109926
5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole
CID 137109986
5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole
CID 137312428
N-[5-[5-fluoro-8-[4-[2-[4-fluoro-1-methyl-5-(4-methyl-3-pyridinyl)pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-4-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydropyrido[3,4-c]pyridazin-6-yl]-3-pyridinyl]-3-methylbutanamide
CID 145034093
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034290
N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-4-fluoro-1-methyl-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 145037804

Frequently Asked Questions

What is the IUPAC name of cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine?
The IUPAC name of cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine (CID 159187769) is cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine?
The canonical SMILES for cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine is CC(C)c1cc[nH]c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnc[nH]1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.CC(C)c1ncncn1.
What is the InChIKey of cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine?
The InChIKey is KNRYSPYZNVTPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3C8H11N.2C7H10N2.C7H11N.C6H9N3.3C6H10N2.3C6H9NS/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3;3-6,8H,1-2H3;3-5H,1-2H3;3*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3.
What are the key properties of cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine?
cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine has a molecular weight of 1672.53 g/mol, XLogP of 27.16, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;5-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 159187769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).