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

C30H29FN6O3S — CID 150044783

IUPAC2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(-c3ccc(N4CCC(O)CC4)cc3)cc2C1=O
InChIInChI=1S/C30H29FN6O3S/c31-24-15-19(18-3-5-20(6-4-18)35-11-7-21(38)8-12-35)14-22-23(24)16-37(29(22)40)27(28(39)34-30-32-9-13-41-30)26-25-2-1-10-36(25)17-33-26/h3-6,9,13-15,17,21,27,38H,1-2,7-8,10-12,16H2,(H,32,34,39)
InChIKeyDKAZDPXBPDIERX-UHFFFAOYSA-N
MW572.67 g/mol
LogP4.39
Rot. Bonds6

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-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-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 150044783) has the molecular formula C30H29FN6O3S and a molecular weight of 572.67 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-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-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID150044783
Molecular FormulaC30H29FN6O3S
Molecular Weight572.67 g/mol
Exact Mass572.20
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(-c3ccc(N4CCC(O)CC4)cc3)cc2C1=O
InChIInChI=1S/C30H29FN6O3S/c31-24-15-19(18-3-5-20(6-4-18)35-11-7-21(38)8-12-35)14-22-23(24)16-37(29(22)40)27(28(39)34-30-32-9-13-41-30)26-25-2-1-10-36(25)17-33-26/h3-6,9,13-15,17,21,27,38H,1-2,7-8,10-12,16H2,(H,32,34,39)
InChIKeyDKAZDPXBPDIERX-UHFFFAOYSA-N
XLogP4.39
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.67
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-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-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-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-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 150044783) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-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-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-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-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1ncn2c1CCC2)N1Cc2c(F)cc(-c3ccc(N4CCC(O)CC4)cc3)cc2C1=O.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DKAZDPXBPDIERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O3S/c31-24-15-19(18-3-5-20(6-4-18)35-11-7-21(38)8-12-35)14-22-23(24)16-37(29(22)40)27(28(39)34-30-32-9-13-41-30)26-25-2-1-10-36(25)17-33-26/h3-6,9,13-15,17,21,27,38H,1-2,7-8,10-12,16H2,(H,32,34,39).
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[7-fluoro-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-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-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 572.67 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-5-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 150044783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).