2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole

C74H118N6OS — CID 157125478

IUPAC2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1cnn(C)c1C(C)C
InChIInChI=1S/4C11H17N.C10H18N2.C10H16O.C10H16S/c2*1-8(2)10-5-6-12-7-11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4/h4*5-9H,1-4H3;6-8H,1-5H3;2*5-8H,1-4H3
InChIKeyAILNXEJIYPGNFN-UHFFFAOYSA-N
MW1139.87 g/mol
LogP23.50
Rot. Bonds14

About 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole

2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole (PubChem CID 157125478) has the molecular formula C74H118N6OS and a molecular weight of 1139.87 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
PubChem CID157125478
Molecular FormulaC74H118N6OS
Molecular Weight1139.87 g/mol
Exact Mass1138.91
IUPAC Name2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1cnn(C)c1C(C)C
InChIInChI=1S/4C11H17N.C10H18N2.C10H16O.C10H16S/c2*1-8(2)10-5-6-12-7-11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4/h4*5-9H,1-4H3;6-8H,1-5H3;2*5-8H,1-4H3
InChIKeyAILNXEJIYPGNFN-UHFFFAOYSA-N
XLogP23.50
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001139.87
LogP ≤ 523.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole 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

N-(furan-2-ylmethyl)-1-pyridin-3-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 46953715
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
3-[2-(Furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine
CID 141203724
4-[6-[5-(Furan-2-yl)thiophen-3-yl]-3,3,6-trimethylheptyl]-1-phenylpyrazole
CID 146395911
cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
1-Tert-butyl-3,5-dimethylpyrazole;2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-3-methylpyridine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole
CID 157096905
cumene;2-propan-2-yl-1-benzofuran;2-propan-2-ylfuran;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157157091
3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene
CID 157210482
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene
CID 157225889
1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene
CID 157291123
1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran
CID 157358136

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole?
The IUPAC name of 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole (CID 157125478) is 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole?
The canonical SMILES for 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole is CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1cnn(C)c1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole?
The InChIKey is AILNXEJIYPGNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H17N.C10H18N2.C10H16O.C10H16S/c2*1-8(2)10-5-6-12-7-11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4/h4*5-9H,1-4H3;6-8H,1-5H3;2*5-8H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole?
2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole has a molecular weight of 1139.87 g/mol, XLogP of 23.50, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 157125478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).