1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole

C161H203F3N26S2 — CID 158891237

IUPAC1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole
SMILESCC(C)c1cc(F)c2c(cnn2C)c1.CC(C)c1cc2cnn(C)c2cc1F.CC(C)c1ccc2c(F)nn(C)c2c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2c(cnn2C2CC2)c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2nn(C)cc2c1.CCn1ncc2cc(C(C)C)ccc21.Cc1cc2c(cnn2C)cc1C(C)C.Cc1nc2cc(C(C)C)ccc2s1.Cc1nc2ccc(C(C)C)cc2s1.Cc1nn(C)c2cc(C(C)C)ccc12
InChIInChI=1S/C13H16N2.C13H18N2.3C12H16N2.3C11H13FN2.4C11H14N2.2C11H13NS/c1-9(2)10-3-6-13-11(7-10)8-14-15(13)12-4-5-12;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-8(2)10-5-6-11-9(3)13-14(4)12(11)7-10;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13-14;1-7(2)9-4-8-6-13-14(3)11(8)5-10(9)12;1-7(2)8-4-9-6-13-14(3)11(9)10(12)5-8;1-7(2)8-4-5-9-10(6-8)14(3)13-11(9)12;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h3,6-9,12H,4-5H2,1-2H3;5-10H,1-4H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;3*4-7H,1-3H3;4*4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyJEGLUUMPSOEGRJ-UHFFFAOYSA-N
MW2623.70 g/mol
LogP43.18
Rot. Bonds17

About 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole

1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole (PubChem CID 158891237) has the molecular formula C161H203F3N26S2 and a molecular weight of 2623.70 g/mol. Its IUPAC name is 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole.

Molecular Properties

Compound Name1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole
PubChem CID158891237
Molecular FormulaC161H203F3N26S2
Molecular Weight2623.70 g/mol
Exact Mass2621.61
IUPAC Name1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole
SMILESCC(C)c1cc(F)c2c(cnn2C)c1.CC(C)c1cc2cnn(C)c2cc1F.CC(C)c1ccc2c(F)nn(C)c2c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2c(cnn2C2CC2)c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2nn(C)cc2c1.CCn1ncc2cc(C(C)C)ccc21.Cc1cc2c(cnn2C)cc1C(C)C.Cc1nc2cc(C(C)C)ccc2s1.Cc1nc2ccc(C(C)C)cc2s1.Cc1nn(C)c2cc(C(C)C)ccc12
InChIInChI=1S/C13H16N2.C13H18N2.3C12H16N2.3C11H13FN2.4C11H14N2.2C11H13NS/c1-9(2)10-3-6-13-11(7-10)8-14-15(13)12-4-5-12;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-8(2)10-5-6-11-9(3)13-14(4)12(11)7-10;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13-14;1-7(2)9-4-8-6-13-14(3)11(8)5-10(9)12;1-7(2)8-4-9-6-13-14(3)11(9)10(12)5-8;1-7(2)8-4-5-9-10(6-8)14(3)13-11(9)12;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h3,6-9,12H,4-5H2,1-2H3;5-10H,1-4H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;3*4-7H,1-3H3;4*4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyJEGLUUMPSOEGRJ-UHFFFAOYSA-N
XLogP43.18
TPSA239.62 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002623.70
LogP ≤ 543.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole?
The IUPAC name of 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole (CID 158891237) is 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole.
What is the SMILES notation for 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole?
The canonical SMILES for 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole is CC(C)c1cc(F)c2c(cnn2C)c1.CC(C)c1cc2cnn(C)c2cc1F.CC(C)c1ccc2c(F)nn(C)c2c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2c(cnn2C2CC2)c1.CC(C)c1ccc2cn(C)nc2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2nn(C)cc2c1.CCn1ncc2cc(C(C)C)ccc21.Cc1cc2c(cnn2C)cc1C(C)C.Cc1nc2cc(C(C)C)ccc2s1.Cc1nc2ccc(C(C)C)cc2s1.Cc1nn(C)c2cc(C(C)C)ccc12.
What is the InChIKey of 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole?
The InChIKey is JEGLUUMPSOEGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H18N2.3C12H16N2.3C11H13FN2.4C11H14N2.2C11H13NS/c1-9(2)10-3-6-13-11(7-10)8-14-15(13)12-4-5-12;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-8(2)11-6-10-7-13-14(4)12(10)5-9(11)3;1-8(2)10-5-6-11-9(3)13-14(4)12(11)7-10;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13-14;1-7(2)9-4-8-6-13-14(3)11(8)5-10(9)12;1-7(2)8-4-9-6-13-14(3)11(9)10(12)5-8;1-7(2)8-4-5-9-10(6-8)14(3)13-11(9)12;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-13(3)12-11(10)6-9;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10/h3,6-9,12H,4-5H2,1-2H3;5-10H,1-4H3;2*5-8H,1-4H3;5-9H,4H2,1-3H3;3*4-7H,1-3H3;4*4-8H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole?
1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole has a molecular weight of 2623.70 g/mol, XLogP of 43.18, 17 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-dimethyl-5-propan-2-ylindazole;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;3-fluoro-1-methyl-6-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;2-methyl-6-propan-2-ylindazole is sourced from PubChem (CID 158891237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).