7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole

C96H127F2N13 — CID 160827563

IUPAC7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole
SMILESCC(C)(C)c1c(F)ccc2cnn(C3CC3)c12.Cc1ccc2[nH]cc(C)c2c1C(C)(C)C.Cc1ccc2cnn(C)c2c1C(C)(C)C.Cc1ccc2cnn(C3CC3)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C3CC3)c2c1C(C)(C)C.Cn1ncc2ccc(F)c(C(C)(C)C)c21
InChIInChI=1S/2C15H20N2.C14H17FN2.C14H19N.2C13H18N2.C12H15FN2/c1-9-5-8-11-12(13(9)15(2,3)4)14(17-16-11)10-6-7-10;1-10-5-6-11-9-16-17(12-7-8-12)14(11)13(10)15(2,3)4;1-14(2,3)12-11(15)7-4-9-8-16-17(13(9)12)10-5-6-10;1-9-6-7-11-12(10(2)8-15-11)13(9)14(3,4)5;1-9-6-7-10-8-14-15(5)12(10)11(9)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-12(2,3)10-9(13)6-5-8-7-14-15(4)11(8)10/h5,8,10H,6-7H2,1-4H3,(H,16,17);5-6,9,12H,7-8H2,1-4H3;4,7-8,10H,5-6H2,1-3H3;6-8,15H,1-5H3;6-8H,1-5H3;6-7H,1-5H3,(H,14,15);5-7H,1-4H3
InChIKeySGJOTEYEALMRJP-UHFFFAOYSA-N
MW1501.16 g/mol
LogP25.58
Rot. Bonds3

About 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole

7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole (PubChem CID 160827563) has the molecular formula C96H127F2N13 and a molecular weight of 1501.16 g/mol. Its IUPAC name is 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole.

Molecular Properties

Compound Name7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole
PubChem CID160827563
Molecular FormulaC96H127F2N13
Molecular Weight1501.16 g/mol
Exact Mass1500.03
IUPAC Name7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole
SMILESCC(C)(C)c1c(F)ccc2cnn(C3CC3)c12.Cc1ccc2[nH]cc(C)c2c1C(C)(C)C.Cc1ccc2cnn(C)c2c1C(C)(C)C.Cc1ccc2cnn(C3CC3)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C3CC3)c2c1C(C)(C)C.Cn1ncc2ccc(F)c(C(C)(C)C)c21
InChIInChI=1S/2C15H20N2.C14H17FN2.C14H19N.2C13H18N2.C12H15FN2/c1-9-5-8-11-12(13(9)15(2,3)4)14(17-16-11)10-6-7-10;1-10-5-6-11-9-16-17(12-7-8-12)14(11)13(10)15(2,3)4;1-14(2,3)12-11(15)7-4-9-8-16-17(13(9)12)10-5-6-10;1-9-6-7-11-12(10(2)8-15-11)13(9)14(3,4)5;1-9-6-7-10-8-14-15(5)12(10)11(9)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-12(2,3)10-9(13)6-5-8-7-14-15(4)11(8)10/h5,8,10H,6-7H2,1-4H3,(H,16,17);5-6,9,12H,7-8H2,1-4H3;4,7-8,10H,5-6H2,1-3H3;6-8,15H,1-5H3;6-8H,1-5H3;6-7H,1-5H3,(H,14,15);5-7H,1-4H3
InChIKeySGJOTEYEALMRJP-UHFFFAOYSA-N
XLogP25.58
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001501.16
LogP ≤ 525.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole with MolForge

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Related Compounds

US11420958, Ex. No. 395
CID 156190816
5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
CID 168994176
5-cyclopropyl-4-[[(6R)-2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
CID 168994186
5-cyclopropyl-4-[[(6R)-2,2-difluoro-6-(4-pyrazol-1-ylphenyl)-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
CID 168994204
5-cyclopropyl-4-[[2,2-difluoro-6-(4-pyrazol-1-ylphenyl)-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
CID 168994268
5-cyclopropyl-4-[[(6S)-2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
CID 168994307
5-cyclopropyl-4-[[(6S)-2,2-difluoro-6-(4-pyrazol-1-ylphenyl)-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
CID 168994328
4-[[(3R,4R)-1-(1,3-difluoropropan-2-yl)-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole
CID 169209624
1-[(5-fluoro-1H-indol-4-yl)methyl]-4-(5-methylindazol-1-yl)indazole
CID 123657217
1-[(5-fluoro-1H-indol-4-yl)methyl]-4-[(5-methylindazol-1-yl)methyl]indazole
CID 129058332
(1E,3E)-N-ethenyl-2-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-4-methyl-5-pyrrolidin-1-ylpenta-1,3-dien-1-amine
CID 137033334
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-1H-indazole
CID 137088518

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole?
The IUPAC name of 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole (CID 160827563) is 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole.
What is the SMILES notation for 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole?
The canonical SMILES for 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole is CC(C)(C)c1c(F)ccc2cnn(C3CC3)c12.Cc1ccc2[nH]cc(C)c2c1C(C)(C)C.Cc1ccc2cnn(C)c2c1C(C)(C)C.Cc1ccc2cnn(C3CC3)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C)c2c1C(C)(C)C.Cc1ccc2n[nH]c(C3CC3)c2c1C(C)(C)C.Cn1ncc2ccc(F)c(C(C)(C)C)c21.
What is the InChIKey of 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole?
The InChIKey is SGJOTEYEALMRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H20N2.C14H17FN2.C14H19N.2C13H18N2.C12H15FN2/c1-9-5-8-11-12(13(9)15(2,3)4)14(17-16-11)10-6-7-10;1-10-5-6-11-9-16-17(12-7-8-12)14(11)13(10)15(2,3)4;1-14(2,3)12-11(15)7-4-9-8-16-17(13(9)12)10-5-6-10;1-9-6-7-11-12(10(2)8-15-11)13(9)14(3,4)5;1-9-6-7-10-8-14-15(5)12(10)11(9)13(2,3)4;1-8-6-7-10-11(9(2)14-15-10)12(8)13(3,4)5;1-12(2,3)10-9(13)6-5-8-7-14-15(4)11(8)10/h5,8,10H,6-7H2,1-4H3,(H,16,17);5-6,9,12H,7-8H2,1-4H3;4,7-8,10H,5-6H2,1-3H3;6-8,15H,1-5H3;6-8H,1-5H3;6-7H,1-5H3,(H,14,15);5-7H,1-4H3.
What are the key properties of 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole?
7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole has a molecular weight of 1501.16 g/mol, XLogP of 25.58, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-2H-indazole;7-tert-butyl-1-cyclopropyl-6-methylindazole;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindazole;4-tert-butyl-3,5-dimethyl-1H-indole;7-tert-butyl-6-fluoro-1-methylindazole is sourced from PubChem (CID 160827563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).