3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid

C24H20FN3O2 — CID 146486322

IUPAC3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESC=C(C)c1c(C23CC(C(=O)O)(C2)C3)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O2/c1-13(2)21-20(23-10-24(11-23,12-23)22(29)30)17-8-18-14(9-26-27-18)7-19(17)28(21)16-5-3-15(25)4-6-16/h3-9H,1,10-12H2,2H3,(H,26,27)(H,29,30)
InChIKeyDLKYMGLUHOWGIF-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.19
Rot. Bonds4

About 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid

3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 146486322) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID146486322
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESC=C(C)c1c(C23CC(C(=O)O)(C2)C3)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O2/c1-13(2)21-20(23-10-24(11-23,12-23)22(29)30)17-8-18-14(9-26-27-18)7-19(17)28(21)16-5-3-15(25)4-6-16/h3-9H,1,10-12H2,2H3,(H,26,27)(H,29,30)
InChIKeyDLKYMGLUHOWGIF-UHFFFAOYSA-N
XLogP5.19
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-9-carboxylic acid
CID 164617273
3-fluoro-5-[[6-(2-methyl-1H-indazol-6-yl)indol-1-yl]methyl]benzoic acid
CID 146000638
methyl 6-[3-cyano-5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]spiro[3.3]heptane-2-carboxylate
CID 146486196
3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486204
3-[8-fluoro-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486212
6-[5-(4-fluoro-3-methylphenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]spiro[3.3]heptane-2-carboxylic acid
CID 146486221
methyl 6-[3-bromo-5-(3,4-difluorophenyl)-6-(oxan-4-yl)-2H-pyrrolo[2,3-f]indazol-7-yl]spiro[3.3]heptane-2-carboxylate
CID 146486236
methyl 6-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]spiro[3.3]heptane-2-carboxylate
CID 146486238
6-[5-(4-fluorophenyl)-6-(oxolan-3-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]spiro[3.3]heptane-2-carboxylic acid
CID 146486239
6-[8-bromo-5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]spiro[3.3]heptane-2-carboxylic acid
CID 146486240
6-[3-cyano-5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]spiro[3.3]heptane-2-carboxylic acid
CID 146486242
6-[5-(4-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]spiro[3.3]heptane-2-carboxylic acid
CID 146486246

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid (CID 146486322) is 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid is C=C(C)c1c(C23CC(C(=O)O)(C2)C3)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is DLKYMGLUHOWGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-13(2)21-20(23-10-24(11-23,12-23)22(29)30)17-8-18-14(9-26-27-18)7-19(17)28(21)16-5-3-15(25)4-6-16/h3-9H,1,10-12H2,2H3,(H,26,27)(H,29,30).
What are the key properties of 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid?
3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 401.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 146486322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).