2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C30H30FN7O2S — CID 155412905

IUPAC2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(-c2ccc(N3CCOCC3)cc2)c(C)c2nn(C(C(=O)Nc3nccs3)c3ncn4c3C[C@@H](F)C4)cc12
InChIInChI=1S/C30H30FN7O2S/c1-18-13-23(20-3-5-22(6-4-20)36-8-10-40-11-9-36)19(2)26-24(18)16-38(35-26)28(29(39)34-30-32-7-12-41-30)27-25-14-21(31)15-37(25)17-33-27/h3-7,12-13,16-17,21,28H,8-11,14-15H2,1-2H3,(H,32,34,39)/t21-,28?/m1/s1
InChIKeyUBUCKSLHORVOPC-IHKRANBOSA-N
MW571.68 g/mol
LogP4.93
Rot. Bonds6

About 2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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 155412905) has the molecular formula C30H30FN7O2S and a molecular weight of 571.68 g/mol. Its IUPAC name is 2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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 CID155412905
Molecular FormulaC30H30FN7O2S
Molecular Weight571.68 g/mol
Exact Mass571.22
IUPAC Name2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(-c2ccc(N3CCOCC3)cc2)c(C)c2nn(C(C(=O)Nc3nccs3)c3ncn4c3C[C@@H](F)C4)cc12
InChIInChI=1S/C30H30FN7O2S/c1-18-13-23(20-3-5-22(6-4-20)36-8-10-40-11-9-36)19(2)26-24(18)16-38(35-26)28(29(39)34-30-32-7-12-41-30)27-25-14-21(31)15-37(25)17-33-27/h3-7,12-13,16-17,21,28H,8-11,14-15H2,1-2H3,(H,32,34,39)/t21-,28?/m1/s1
InChIKeyUBUCKSLHORVOPC-IHKRANBOSA-N
XLogP4.93
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.68
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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 155412905) is 2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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 Cc1cc(-c2ccc(N3CCOCC3)cc2)c(C)c2nn(C(C(=O)Nc3nccs3)c3ncn4c3C[C@@H](F)C4)cc12.
What is the InChIKey of 2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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 UBUCKSLHORVOPC-IHKRANBOSA-N. The full InChI is InChI=1S/C30H30FN7O2S/c1-18-13-23(20-3-5-22(6-4-20)36-8-10-40-11-9-36)19(2)26-24(18)16-38(35-26)28(29(39)34-30-32-7-12-41-30)27-25-14-21(31)15-37(25)17-33-27/h3-7,12-13,16-17,21,28H,8-11,14-15H2,1-2H3,(H,32,34,39)/t21-,28?/m1/s1.
What are the key properties of 2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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 571.68 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,7-dimethyl-6-(4-morpholin-4-ylphenyl)indazol-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 155412905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).