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

C25H27F2N7O2 — CID 153172378

IUPAC6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(-c3c(-c4ccn(CC(F)F)n4)nc4n3CCC4)ccc2ncn1CCN1CCOCC1
InChIInChI=1S/C25H27F2N7O2/c26-21(27)15-33-7-5-20(30-33)23-24(34-6-1-2-22(34)29-23)17-3-4-19-18(14-17)25(35)32(16-28-19)9-8-31-10-12-36-13-11-31/h3-5,7,14,16,21H,1-2,6,8-13,15H2
InChIKeyWEMFORHXSIYFQO-UHFFFAOYSA-N
MW495.53 g/mol
LogP2.67
Rot. Bonds7

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

6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one (PubChem CID 153172378) has the molecular formula C25H27F2N7O2 and a molecular weight of 495.53 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]-3-(2-morpholin-4-ylethyl)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]-3-(2-morpholin-4-ylethyl)quinazolin-4-one
PubChem CID153172378
Molecular FormulaC25H27F2N7O2
Molecular Weight495.53 g/mol
Exact Mass495.22
IUPAC Name6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one
SMILESO=c1c2cc(-c3c(-c4ccn(CC(F)F)n4)nc4n3CCC4)ccc2ncn1CCN1CCOCC1
InChIInChI=1S/C25H27F2N7O2/c26-21(27)15-33-7-5-20(30-33)23-24(34-6-1-2-22(34)29-23)17-3-4-19-18(14-17)25(35)32(16-28-19)9-8-31-10-12-36-13-11-31/h3-5,7,14,16,21H,1-2,6,8-13,15H2
InChIKeyWEMFORHXSIYFQO-UHFFFAOYSA-N
XLogP2.67
TPSA83.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)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]-3-(2-morpholin-4-ylethyl)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]-3-(2-morpholin-4-ylethyl)quinazolin-4-one (CID 153172378) is 6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)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]-3-(2-morpholin-4-ylethyl)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]-3-(2-morpholin-4-ylethyl)quinazolin-4-one is O=c1c2cc(-c3c(-c4ccn(CC(F)F)n4)nc4n3CCC4)ccc2ncn1CCN1CCOCC1.
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]-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
The InChIKey is WEMFORHXSIYFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O2/c26-21(27)15-33-7-5-20(30-33)23-24(34-6-1-2-22(34)29-23)17-3-4-19-18(14-17)25(35)32(16-28-19)9-8-31-10-12-36-13-11-31/h3-5,7,14,16,21H,1-2,6,8-13,15H2.
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]-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-3-(2-morpholin-4-ylethyl)quinazolin-4-one has a molecular weight of 495.53 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 9 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]-3-(2-morpholin-4-ylethyl)quinazolin-4-one is sourced from PubChem (CID 153172378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).