3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide

C23H23FN4OS — CID 59252800

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nccs1
InChIInChI=1S/C23H23FN4OS/c1-4-19(23(2,3)21(29)27-22-25-11-12-30-22)15-5-10-20-16(13-15)14-26-28(20)18-8-6-17(24)7-9-18/h5-14,19H,4H2,1-3H3,(H,25,27,29)
InChIKeyBGWJZJUIEGLDRD-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.78
Rot. Bonds6

About 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 59252800) has the molecular formula C23H23FN4OS and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID59252800
Molecular FormulaC23H23FN4OS
Molecular Weight422.53 g/mol
Exact Mass422.16
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nccs1
InChIInChI=1S/C23H23FN4OS/c1-4-19(23(2,3)21(29)27-22-25-11-12-30-22)15-5-10-20-16(13-15)14-26-28(20)18-8-6-17(24)7-9-18/h5-14,19H,4H2,1-3H3,(H,25,27,29)
InChIKeyBGWJZJUIEGLDRD-UHFFFAOYSA-N
XLogP5.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide (CID 59252800) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide is CCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nccs1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is BGWJZJUIEGLDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4OS/c1-4-19(23(2,3)21(29)27-22-25-11-12-30-22)15-5-10-20-16(13-15)14-26-28(20)18-8-6-17(24)7-9-18/h5-14,19H,4H2,1-3H3,(H,25,27,29).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 422.53 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 59252800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).