2-[4,7-dimethyl-6-(4-piperidin-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

C31H32FN7OS — CID 155412931

IUPAC2-[4,7-dimethyl-6-(4-piperidin-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(C3CCNCC3)cc2)c(C)c2nn(C(C(=O)Nc3nccs3)c3ncn4c3C[C@@H](F)C4)cc12
InChIInChI=1S/C31H32FN7OS/c1-18-13-24(22-5-3-20(4-6-22)21-7-9-33-10-8-21)19(2)27-25(18)16-39(37-27)29(30(40)36-31-34-11-12-41-31)28-26-14-23(32)15-38(26)17-35-28/h3-6,11-13,16-17,21,23,29,33H,7-10,14-15H2,1-2H3,(H,34,36,40)/t23-,29?/m1/s1
InChIKeyRCYYVFPCPQPBJU-WIZGVZBGSA-N
MW569.71 g/mol
LogP5.56
Rot. Bonds6

About 2-[4,7-dimethyl-6-(4-piperidin-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-piperidin-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 155412931) has the molecular formula C31H32FN7OS and a molecular weight of 569.71 g/mol. Its IUPAC name is 2-[4,7-dimethyl-6-(4-piperidin-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-piperidin-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 CID155412931
Molecular FormulaC31H32FN7OS
Molecular Weight569.71 g/mol
Exact Mass569.24
IUPAC Name2-[4,7-dimethyl-6-(4-piperidin-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(C3CCNCC3)cc2)c(C)c2nn(C(C(=O)Nc3nccs3)c3ncn4c3C[C@@H](F)C4)cc12
InChIInChI=1S/C31H32FN7OS/c1-18-13-24(22-5-3-20(4-6-22)21-7-9-33-10-8-21)19(2)27-25(18)16-39(37-27)29(30(40)36-31-34-11-12-41-31)28-26-14-23(32)15-38(26)17-35-28/h3-6,11-13,16-17,21,23,29,33H,7-10,14-15H2,1-2H3,(H,34,36,40)/t23-,29?/m1/s1
InChIKeyRCYYVFPCPQPBJU-WIZGVZBGSA-N
XLogP5.56
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4,7-dimethyl-6-(4-piperidin-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-piperidin-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-piperidin-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 155412931) is 2-[4,7-dimethyl-6-(4-piperidin-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-piperidin-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-piperidin-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(C3CCNCC3)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-piperidin-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 RCYYVFPCPQPBJU-WIZGVZBGSA-N. The full InChI is InChI=1S/C31H32FN7OS/c1-18-13-24(22-5-3-20(4-6-22)21-7-9-33-10-8-21)19(2)27-25(18)16-39(37-27)29(30(40)36-31-34-11-12-41-31)28-26-14-23(32)15-38(26)17-35-28/h3-6,11-13,16-17,21,23,29,33H,7-10,14-15H2,1-2H3,(H,34,36,40)/t23-,29?/m1/s1.
What are the key properties of 2-[4,7-dimethyl-6-(4-piperidin-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-piperidin-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 569.71 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,7-dimethyl-6-(4-piperidin-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 155412931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).