2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C32H35FN8OS — CID 155412977

IUPAC2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN1CCN(c2ccc(-c3cc(C)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3C)cc2)CC1
InChIInChI=1S/C32H35FN8OS/c1-4-38-10-12-39(13-11-38)24-7-5-22(6-8-24)25-15-20(2)26-18-41(37-28(26)21(25)3)30(31(42)36-32-34-9-14-43-32)29-27-16-23(33)17-40(27)19-35-29/h5-9,14-15,18-19,23,30H,4,10-13,16-17H2,1-3H3,(H,34,36,42)/t23-,30?/m1/s1
InChIKeyFLJJZMRCBGGUDT-ZCQJSQKNSA-N
MW598.75 g/mol
LogP5.24
Rot. Bonds7

About 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 155412977) has the molecular formula C32H35FN8OS and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID155412977
Molecular FormulaC32H35FN8OS
Molecular Weight598.75 g/mol
Exact Mass598.26
IUPAC Name2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCN1CCN(c2ccc(-c3cc(C)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3C)cc2)CC1
InChIInChI=1S/C32H35FN8OS/c1-4-38-10-12-39(13-11-38)24-7-5-22(6-8-24)25-15-20(2)26-18-41(37-28(26)21(25)3)30(31(42)36-32-34-9-14-43-32)29-27-16-23(33)17-40(27)19-35-29/h5-9,14-15,18-19,23,30H,4,10-13,16-17H2,1-3H3,(H,34,36,42)/t23-,30?/m1/s1
InChIKeyFLJJZMRCBGGUDT-ZCQJSQKNSA-N
XLogP5.24
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 155412977) is 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CCN1CCN(c2ccc(-c3cc(C)c4cn(C(C(=O)Nc5nccs5)c5ncn6c5C[C@@H](F)C6)nc4c3C)cc2)CC1.
What is the InChIKey of 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FLJJZMRCBGGUDT-ZCQJSQKNSA-N. The full InChI is InChI=1S/C32H35FN8OS/c1-4-38-10-12-39(13-11-38)24-7-5-22(6-8-24)25-15-20(2)26-18-41(37-28(26)21(25)3)30(31(42)36-32-34-9-14-43-32)29-27-16-23(33)17-40(27)19-35-29/h5-9,14-15,18-19,23,30H,4,10-13,16-17H2,1-3H3,(H,34,36,42)/t23-,30?/m1/s1.
What are the key properties of 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 598.75 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 155412977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).