2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole

C86H145N15O2 — CID 157490744

IUPAC2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(C(C)C)o1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C10H18N2.3C10H16N2.2C10H16O.2C9H16N2.C8H15N3/c1-7(2)9-6-10(8(3)4)12(5)11-9;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4/h6-8H,1-5H3;3*5-8H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyBXFYASBIOBWEOS-UHFFFAOYSA-N
MW1421.21 g/mol
LogP25.12
Rot. Bonds18

About 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole

2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole (PubChem CID 157490744) has the molecular formula C86H145N15O2 and a molecular weight of 1421.21 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole
PubChem CID157490744
Molecular FormulaC86H145N15O2
Molecular Weight1421.21 g/mol
Exact Mass1420.17
IUPAC Name2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(C(C)C)o1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C10H18N2.3C10H16N2.2C10H16O.2C9H16N2.C8H15N3/c1-7(2)9-6-10(8(3)4)12(5)11-9;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4/h6-8H,1-5H3;3*5-8H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3
InChIKeyBXFYASBIOBWEOS-UHFFFAOYSA-N
XLogP25.12
TPSA198.65 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001421.21
LogP ≤ 525.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole with MolForge

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Related Compounds

5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137041960
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137109855
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137110533
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136495687
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136946607
4-fluoro-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136947036
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137042108
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137055668
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137056184
5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137056576
4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137056585
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137056593

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole?
The IUPAC name of 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole (CID 157490744) is 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole?
The canonical SMILES for 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole is CC(C)c1cc(C(C)C)[nH]n1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1ccc(C(C)C)nn1.CC(C)c1ccc(C(C)C)o1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnnc(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1ncn(C(C)C)n1.
What is the InChIKey of 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole?
The InChIKey is BXFYASBIOBWEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.3C10H16N2.2C10H16O.2C9H16N2.C8H15N3/c1-7(2)9-6-10(8(3)4)12(5)11-9;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-10(8(3)4)12-11-6-9;1-7(2)9-5-6-10(8(3)4)12-11-9;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-6(2)8-9-5-11(10-8)7(3)4/h6-8H,1-5H3;3*5-8H,1-4H3;3*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);5-7H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole?
2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole has a molecular weight of 1421.21 g/mol, XLogP of 25.12, 18 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 157490744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).