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

C19H16F2N6O — CID 146407879

IUPAC6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3c(-c4ccn(CC(F)F)n4)nc4n3CCC4)cc12
InChIInChI=1S/C19H16F2N6O/c20-15(21)9-26-7-5-14(25-26)17-18(27-6-1-2-16(27)24-17)11-3-4-13-12(8-11)19(28)23-10-22-13/h3-5,7-8,10,15H,1-2,6,9H2,(H,22,23,28)
InChIKeyWWBZCXZOBCEGJJ-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.86
Rot. Bonds4

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

6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one (PubChem CID 146407879) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one
PubChem CID146407879
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2ccc(-c3c(-c4ccn(CC(F)F)n4)nc4n3CCC4)cc12
InChIInChI=1S/C19H16F2N6O/c20-15(21)9-26-7-5-14(25-26)17-18(27-6-1-2-16(27)24-17)11-3-4-13-12(8-11)19(28)23-10-22-13/h3-5,7-8,10,15H,1-2,6,9H2,(H,22,23,28)
InChIKeyWWBZCXZOBCEGJJ-UHFFFAOYSA-N
XLogP2.86
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one (CID 146407879) is 6-[2-[1-(2,2-difluoroethyl)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-(2,2-difluoroethyl)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-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one is O=c1[nH]cnc2ccc(-c3c(-c4ccn(CC(F)F)n4)nc4n3CCC4)cc12.
What is the InChIKey of 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one?
The InChIKey is WWBZCXZOBCEGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c20-15(21)9-26-7-5-14(25-26)17-18(27-6-1-2-16(27)24-17)11-3-4-13-12(8-11)19(28)23-10-22-13/h3-5,7-8,10,15H,1-2,6,9H2,(H,22,23,28).
What are the key properties of 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one?
6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one has a molecular weight of 382.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 146407879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).