1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole

C132H165BrN24O2 — CID 157462796

IUPAC1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole
SMILESCC(C)c1ccc(-c2ccc(Br)cc2)cc1.CC(C)c1ccc(-c2cnc(=O)[nH]c2)cc1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2nn(C3CCN(C)CC3)cc2n1.CC(C)c1nccc(-c2ccc3c(cnn3C)c2)n1.CCCn1ncc2cc(C(C)C)ccc21.CCn1ncc2cc(C(C)C)ccc21.COc1ncc(-c2ccc(C(C)C)cc2)cn1.Cc1c2nc(C(C)C)ccc2nn1C.Cc1nn(C)c2ccc(C(C)C)nc12
InChIInChI=1S/C15H15Br.C15H22N4.C15H16N4.C14H16N2O.C13H14N2O.2C13H18N2.C12H16N2.2C11H15N3/c1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14;1-11(2)13-4-5-14-15(16-13)10-19(17-14)12-6-8-18(3)9-7-12;1-10(2)15-16-7-6-13(18-15)11-4-5-14-12(8-11)9-17-19(14)3;1-10(2)11-4-6-12(7-5-11)13-8-15-14(17-3)16-9-13;1-9(2)10-3-5-11(6-4-10)12-7-14-13(16)15-8-12;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-4-7-15-13-6-5-11(10(2)3)8-12(13)9-14-15;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13-14;1-7(2)9-5-6-10-11(12-9)8(3)14(4)13-10;1-7(2)9-5-6-10-11(12-9)8(3)13-14(10)4/h3-11H,1-2H3;4-5,10-12H,6-9H2,1-3H3;4-10H,1-3H3;4-10H,1-3H3;3-9H,1-2H3,(H,14,15,16);5-10H,1-4H3;5-6,8-10H,4,7H2,1-3H3;5-9H,4H2,1-3H3;2*5-7H,1-4H3
InChIKeyBUCYUJXXSHKATC-UHFFFAOYSA-N
MW2199.84 g/mol
LogP32.34
Rot. Bonds20

About 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole

1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole (PubChem CID 157462796) has the molecular formula C132H165BrN24O2 and a molecular weight of 2199.84 g/mol. Its IUPAC name is 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole.

Molecular Properties

Compound Name1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole
PubChem CID157462796
Molecular FormulaC132H165BrN24O2
Molecular Weight2199.84 g/mol
Exact Mass2197.27
IUPAC Name1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole
SMILESCC(C)c1ccc(-c2ccc(Br)cc2)cc1.CC(C)c1ccc(-c2cnc(=O)[nH]c2)cc1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2nn(C3CCN(C)CC3)cc2n1.CC(C)c1nccc(-c2ccc3c(cnn3C)c2)n1.CCCn1ncc2cc(C(C)C)ccc21.CCn1ncc2cc(C(C)C)ccc21.COc1ncc(-c2ccc(C(C)C)cc2)cn1.Cc1c2nc(C(C)C)ccc2nn1C.Cc1nn(C)c2ccc(C(C)C)nc12
InChIInChI=1S/C15H15Br.C15H22N4.C15H16N4.C14H16N2O.C13H14N2O.2C13H18N2.C12H16N2.2C11H15N3/c1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14;1-11(2)13-4-5-14-15(16-13)10-19(17-14)12-6-8-18(3)9-7-12;1-10(2)15-16-7-6-13(18-15)11-4-5-14-12(8-11)9-17-19(14)3;1-10(2)11-4-6-12(7-5-11)13-8-15-14(17-3)16-9-13;1-9(2)10-3-5-11(6-4-10)12-7-14-13(16)15-8-12;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-4-7-15-13-6-5-11(10(2)3)8-12(13)9-14-15;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13-14;1-7(2)9-5-6-10-11(12-9)8(3)14(4)13-10;1-7(2)9-5-6-10-11(12-9)8(3)13-14(10)4/h3-11H,1-2H3;4-5,10-12H,6-9H2,1-3H3;4-10H,1-3H3;4-10H,1-3H3;3-9H,1-2H3,(H,14,15,16);5-10H,1-4H3;5-6,8-10H,4,7H2,1-3H3;5-9H,4H2,1-3H3;2*5-7H,1-4H3
InChIKeyBUCYUJXXSHKATC-UHFFFAOYSA-N
XLogP32.34
TPSA273.19 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms159
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002199.84
LogP ≤ 532.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole?
The IUPAC name of 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole (CID 157462796) is 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole.
What is the SMILES notation for 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole?
The canonical SMILES for 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole is CC(C)c1ccc(-c2ccc(Br)cc2)cc1.CC(C)c1ccc(-c2cnc(=O)[nH]c2)cc1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2nn(C3CCN(C)CC3)cc2n1.CC(C)c1nccc(-c2ccc3c(cnn3C)c2)n1.CCCn1ncc2cc(C(C)C)ccc21.CCn1ncc2cc(C(C)C)ccc21.COc1ncc(-c2ccc(C(C)C)cc2)cn1.Cc1c2nc(C(C)C)ccc2nn1C.Cc1nn(C)c2ccc(C(C)C)nc12.
What is the InChIKey of 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole?
The InChIKey is BUCYUJXXSHKATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br.C15H22N4.C15H16N4.C14H16N2O.C13H14N2O.2C13H18N2.C12H16N2.2C11H15N3/c1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14;1-11(2)13-4-5-14-15(16-13)10-19(17-14)12-6-8-18(3)9-7-12;1-10(2)15-16-7-6-13(18-15)11-4-5-14-12(8-11)9-17-19(14)3;1-10(2)11-4-6-12(7-5-11)13-8-15-14(17-3)16-9-13;1-9(2)10-3-5-11(6-4-10)12-7-14-13(16)15-8-12;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-4-7-15-13-6-5-11(10(2)3)8-12(13)9-14-15;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13-14;1-7(2)9-5-6-10-11(12-9)8(3)14(4)13-10;1-7(2)9-5-6-10-11(12-9)8(3)13-14(10)4/h3-11H,1-2H3;4-5,10-12H,6-9H2,1-3H3;4-10H,1-3H3;4-10H,1-3H3;3-9H,1-2H3,(H,14,15,16);5-10H,1-4H3;5-6,8-10H,4,7H2,1-3H3;5-9H,4H2,1-3H3;2*5-7H,1-4H3.
What are the key properties of 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole?
1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole has a molecular weight of 2199.84 g/mol, XLogP of 32.34, 20 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-propan-2-ylphenyl)benzene;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole is sourced from PubChem (CID 157462796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).