6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one

C21H21FN6O — CID 163914523

IUPAC6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one
SMILESCC(F)Cn1ccc(-c2nc3n(c2-c2ccc4ncn(C)c(=O)c4c2)CCC3)n1
InChIInChI=1S/C21H21FN6O/c1-13(22)11-27-9-7-17(25-27)19-20(28-8-3-4-18(28)24-19)14-5-6-16-15(10-14)21(29)26(2)12-23-16/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3
InChIKeySRWDJNCHUBRILD-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.96
Rot. Bonds4

About 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one

6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one (PubChem CID 163914523) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one
PubChem CID163914523
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one
SMILESCC(F)Cn1ccc(-c2nc3n(c2-c2ccc4ncn(C)c(=O)c4c2)CCC3)n1
InChIInChI=1S/C21H21FN6O/c1-13(22)11-27-9-7-17(25-27)19-20(28-8-3-4-18(28)24-19)14-5-6-16-15(10-14)21(29)26(2)12-23-16/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3
InChIKeySRWDJNCHUBRILD-UHFFFAOYSA-N
XLogP2.96
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
The IUPAC name of 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one (CID 163914523) is 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one is CC(F)Cn1ccc(-c2nc3n(c2-c2ccc4ncn(C)c(=O)c4c2)CCC3)n1.
What is the InChIKey of 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
The InChIKey is SRWDJNCHUBRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-13(22)11-27-9-7-17(25-27)19-20(28-8-3-4-18(28)24-19)14-5-6-16-15(10-14)21(29)26(2)12-23-16/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3.
What are the key properties of 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one?
6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one has a molecular weight of 392.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 163914523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).