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

C20H19FN6O — CID 163495096

IUPAC6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one
SMILESCC(F)Cn1ccc(-c2nc3n(c2-c2ccc4nc[nH]c(=O)c4c2)CCC3)n1
InChIInChI=1S/C20H19FN6O/c1-12(21)10-26-8-6-16(25-26)18-19(27-7-2-3-17(27)24-18)13-4-5-15-14(9-13)20(28)23-11-22-15/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,22,23,28)
InChIKeyMBUXMBPAIMRWFK-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.95
Rot. Bonds4

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

6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one (PubChem CID 163495096) has the molecular formula C20H19FN6O and a molecular weight of 378.41 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]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one
PubChem CID163495096
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one
SMILESCC(F)Cn1ccc(-c2nc3n(c2-c2ccc4nc[nH]c(=O)c4c2)CCC3)n1
InChIInChI=1S/C20H19FN6O/c1-12(21)10-26-8-6-16(25-26)18-19(27-7-2-3-17(27)24-18)13-4-5-15-14(9-13)20(28)23-11-22-15/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,22,23,28)
InChIKeyMBUXMBPAIMRWFK-UHFFFAOYSA-N
XLogP2.95
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-3H-quinazolin-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]-3H-quinazolin-4-one (CID 163495096) is 6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-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]-3H-quinazolin-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]-3H-quinazolin-4-one is CC(F)Cn1ccc(-c2nc3n(c2-c2ccc4nc[nH]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]-3H-quinazolin-4-one?
The InChIKey is MBUXMBPAIMRWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-12(21)10-26-8-6-16(25-26)18-19(27-7-2-3-17(27)24-18)13-4-5-15-14(9-13)20(28)23-11-22-15/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,22,23,28).
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]-3H-quinazolin-4-one?
6-[2-[1-(2-fluoropropyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one has a molecular weight of 378.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-3H-quinazolin-4-one is sourced from PubChem (CID 163495096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).