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2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C27H27FN8O2S — CID 156505678

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(-c3cnn(C4CCNCC4)c3)cc2C1=O
InChIInChI=1S/C27H27FN8O2S/c28-21-11-16(17-12-32-36(13-17)18-3-5-29-6-4-18)10-19-20(21)14-35(26(19)38)24(25(37)33-27-30-7-9-39-27)23-22-2-1-8-34(22)15-31-23/h7,9-13,15,18,24,29H,1-6,8,14H2,(H,30,33,37)
InChIKeyFAFDKDPONAWTQQ-UHFFFAOYSA-N
MW546.63 g/mol
LogP3.55
Rot. Bonds6

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 156505678) has the molecular formula C27H27FN8O2S and a molecular weight of 546.63 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID156505678
Molecular FormulaC27H27FN8O2S
Molecular Weight546.63 g/mol
Exact Mass546.20
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(-c3cnn(C4CCNCC4)c3)cc2C1=O
InChIInChI=1S/C27H27FN8O2S/c28-21-11-16(17-12-32-36(13-17)18-3-5-29-6-4-18)10-19-20(21)14-35(26(19)38)24(25(37)33-27-30-7-9-39-27)23-22-2-1-8-34(22)15-31-23/h7,9-13,15,18,24,29H,1-6,8,14H2,(H,30,33,37)
InChIKeyFAFDKDPONAWTQQ-UHFFFAOYSA-N
XLogP3.55
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.63
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 156505678) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(-c3cnn(C4CCNCC4)c3)cc2C1=O.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is FAFDKDPONAWTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN8O2S/c28-21-11-16(17-12-32-36(13-17)18-3-5-29-6-4-18)10-19-20(21)14-35(26(19)38)24(25(37)33-27-30-7-9-39-27)23-22-2-1-8-34(22)15-31-23/h7,9-13,15,18,24,29H,1-6,8,14H2,(H,30,33,37).
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 546.63 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-3-oxo-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 156505678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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