3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide

C88H82F4N16O6 — CID 157265936

IUPAC3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide
SMILESC=C(C)c1c(CCC(N)=O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)(CC#N)c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)(CC#N)c1c(CCC(N)=O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.[2H]C([2H])([2H])C([2H])(c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1)C([2H])([2H])[2H]
InChIInChI=1S/C23H22FN5O.C23H21FN4O2.C21H19FN4O.C21H20FN3O2/c1-23(2,9-10-25)22-17(7-8-21(26)30)18-12-19-14(13-27-28-19)11-20(18)29(22)16-5-3-15(24)4-6-16;1-23(2,9-10-25)22-17(7-8-21(29)30)18-12-19-14(13-26-27-19)11-20(18)28(22)16-5-3-15(24)4-6-16;1-12(2)21-16(7-8-20(23)27)17-10-18-13(11-24-25-18)9-19(17)26(21)15-5-3-14(22)4-6-15;1-12(2)21-16(7-8-20(26)27)17-10-18-13(11-23-24-18)9-19(17)25(21)15-5-3-14(22)4-6-15/h3-6,11-13H,7-9H2,1-2H3,(H2,26,30)(H,27,28);3-6,11-13H,7-9H2,1-2H3,(H,26,27)(H,29,30);3-6,9-11H,1,7-8H2,2H3,(H2,23,27)(H,24,25);3-6,9-12H,7-8H2,1-2H3,(H,23,24)(H,26,27)/i;;;1D3,2D3,12D
InChIKeyAXZNBIFZVVNHGB-UIPMQQGTSA-N
MW1542.76 g/mol
LogP17.99
Rot. Bonds24

About 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide

3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide (PubChem CID 157265936) has the molecular formula C88H82F4N16O6 and a molecular weight of 1542.76 g/mol. Its IUPAC name is 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide.

Molecular Properties

Compound Name3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide
PubChem CID157265936
Molecular FormulaC88H82F4N16O6
Molecular Weight1542.76 g/mol
Exact Mass1541.70
IUPAC Name3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide
SMILESC=C(C)c1c(CCC(N)=O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)(CC#N)c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)(CC#N)c1c(CCC(N)=O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.[2H]C([2H])([2H])C([2H])(c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1)C([2H])([2H])[2H]
InChIInChI=1S/C23H22FN5O.C23H21FN4O2.C21H19FN4O.C21H20FN3O2/c1-23(2,9-10-25)22-17(7-8-21(26)30)18-12-19-14(13-27-28-19)11-20(18)29(22)16-5-3-15(24)4-6-16;1-23(2,9-10-25)22-17(7-8-21(29)30)18-12-19-14(13-26-27-19)11-20(18)28(22)16-5-3-15(24)4-6-16;1-12(2)21-16(7-8-20(23)27)17-10-18-13(11-24-25-18)9-19(17)26(21)15-5-3-14(22)4-6-15;1-12(2)21-16(7-8-20(26)27)17-10-18-13(11-23-24-18)9-19(17)25(21)15-5-3-14(22)4-6-15/h3-6,11-13H,7-9H2,1-2H3,(H2,26,30)(H,27,28);3-6,11-13H,7-9H2,1-2H3,(H,26,27)(H,29,30);3-6,9-11H,1,7-8H2,2H3,(H2,23,27)(H,24,25);3-6,9-12H,7-8H2,1-2H3,(H,23,24)(H,26,27)/i;;;1D3,2D3,12D
InChIKeyAXZNBIFZVVNHGB-UIPMQQGTSA-N
XLogP17.99
TPSA342.80 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001542.76
LogP ≤ 517.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide 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

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
3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486289
3-[5-(3,4-difluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486293
3-[8-fluoro-5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486295
1-[[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid
CID 146486317
3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146486319
2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid
CID 146486345
1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid
CID 146486349
3-[5-[3-(difluoromethyl)phenyl]-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid
CID 146521844
3-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]butanoic acid
CID 146521854
4-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclohexane-1-carboxylic acid
CID 146521953

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide?
The IUPAC name of 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide (CID 157265936) is 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide.
What is the SMILES notation for 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide?
The canonical SMILES for 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide is C=C(C)c1c(CCC(N)=O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)(CC#N)c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.CC(C)(CC#N)c1c(CCC(N)=O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.[2H]C([2H])([2H])C([2H])(c1c(CCC(=O)O)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1)C([2H])([2H])[2H].
What is the InChIKey of 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide?
The InChIKey is AXZNBIFZVVNHGB-UIPMQQGTSA-N. The full InChI is InChI=1S/C23H22FN5O.C23H21FN4O2.C21H19FN4O.C21H20FN3O2/c1-23(2,9-10-25)22-17(7-8-21(26)30)18-12-19-14(13-27-28-19)11-20(18)29(22)16-5-3-15(24)4-6-16;1-23(2,9-10-25)22-17(7-8-21(29)30)18-12-19-14(13-26-27-19)11-20(18)28(22)16-5-3-15(24)4-6-16;1-12(2)21-16(7-8-20(23)27)17-10-18-13(11-24-25-18)9-19(17)26(21)15-5-3-14(22)4-6-15;1-12(2)21-16(7-8-20(26)27)17-10-18-13(11-23-24-18)9-19(17)25(21)15-5-3-14(22)4-6-15/h3-6,11-13H,7-9H2,1-2H3,(H2,26,30)(H,27,28);3-6,11-13H,7-9H2,1-2H3,(H,26,27)(H,29,30);3-6,9-11H,1,7-8H2,2H3,(H2,23,27)(H,24,25);3-6,9-12H,7-8H2,1-2H3,(H,23,24)(H,26,27)/i;;;1D3,2D3,12D.
What are the key properties of 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide?
3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide has a molecular weight of 1542.76 g/mol, XLogP of 17.99, 24 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide;3-[6-(1-cyano-2-methylpropan-2-yl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;3-[5-(4-fluorophenyl)-6-prop-1-en-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanamide is sourced from PubChem (CID 157265936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).