6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol

C24H24F3N7OS — CID 137435715

IUPAC6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol
SMILESCC(n1cnnc1-c1nc(N2C(O)c3cc(-n4cnc(C5CC5)c4)ccc3C2(C)C)cs1)C(F)(F)F
InChIInChI=1S/C24H24F3N7OS/c1-13(24(25,26)27)33-12-29-31-20(33)21-30-19(10-36-21)34-22(35)16-8-15(6-7-17(16)23(34,2)3)32-9-18(28-11-32)14-4-5-14/h6-14,22,35H,4-5H2,1-3H3
InChIKeyWPDNJJOHGYVGBT-UHFFFAOYSA-N
MW515.57 g/mol
LogP5.33
Rot. Bonds5

About 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol

6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol (PubChem CID 137435715) has the molecular formula C24H24F3N7OS and a molecular weight of 515.57 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol
PubChem CID137435715
Molecular FormulaC24H24F3N7OS
Molecular Weight515.57 g/mol
Exact Mass515.17
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol
SMILESCC(n1cnnc1-c1nc(N2C(O)c3cc(-n4cnc(C5CC5)c4)ccc3C2(C)C)cs1)C(F)(F)F
InChIInChI=1S/C24H24F3N7OS/c1-13(24(25,26)27)33-12-29-31-20(33)21-30-19(10-36-21)34-22(35)16-8-15(6-7-17(16)23(34,2)3)32-9-18(28-11-32)14-4-5-14/h6-14,22,35H,4-5H2,1-3H3
InChIKeyWPDNJJOHGYVGBT-UHFFFAOYSA-N
XLogP5.33
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.57
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol (CID 137435715) is 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol is CC(n1cnnc1-c1nc(N2C(O)c3cc(-n4cnc(C5CC5)c4)ccc3C2(C)C)cs1)C(F)(F)F.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol?
The InChIKey is WPDNJJOHGYVGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7OS/c1-13(24(25,26)27)33-12-29-31-20(33)21-30-19(10-36-21)34-22(35)16-8-15(6-7-17(16)23(34,2)3)32-9-18(28-11-32)14-4-5-14/h6-14,22,35H,4-5H2,1-3H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol?
6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol has a molecular weight of 515.57 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-3,3-dimethyl-2-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]-1H-isoindol-1-ol is sourced from PubChem (CID 137435715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).