1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone

C22H23FN6O — CID 58546916

IUPAC1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@](C)(c2nccnc2C2CN(c3ncc4cc(F)ccc4n3)C2)C1
InChIInChI=1S/C22H23FN6O/c1-14(30)28-8-5-22(2,13-28)20-19(24-6-7-25-20)16-11-29(12-16)21-26-10-15-9-17(23)3-4-18(15)27-21/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3/t22-/m1/s1
InChIKeyWKODLYJHDYQSSY-JOCHJYFZSA-N
MW406.47 g/mol
LogP2.67
Rot. Bonds3

About 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone

1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone (PubChem CID 58546916) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone
PubChem CID58546916
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@](C)(c2nccnc2C2CN(c3ncc4cc(F)ccc4n3)C2)C1
InChIInChI=1S/C22H23FN6O/c1-14(30)28-8-5-22(2,13-28)20-19(24-6-7-25-20)16-11-29(12-16)21-26-10-15-9-17(23)3-4-18(15)27-21/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3/t22-/m1/s1
InChIKeyWKODLYJHDYQSSY-JOCHJYFZSA-N
XLogP2.67
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
4-Methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
CID 71543930
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10523594
(E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 10620326
2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
CID 10691006
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 10761157
3-Methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10810441
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenylprop-2-en-1-one
CID 10812840
(2-Dimethylamino-pyridine-5-yl)-(2-methyl-quinazolin-4-yl)-methylamine
CID 11687928
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylhexan-1-one
CID 11795533
4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
CID 25211494

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone (CID 58546916) is 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@](C)(c2nccnc2C2CN(c3ncc4cc(F)ccc4n3)C2)C1.
What is the InChIKey of 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone?
The InChIKey is WKODLYJHDYQSSY-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-14(30)28-8-5-22(2,13-28)20-19(24-6-7-25-20)16-11-29(12-16)21-26-10-15-9-17(23)3-4-18(15)27-21/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3/t22-/m1/s1.
What are the key properties of 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone?
1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone has a molecular weight of 406.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[3-[1-(6-fluoroquinazolin-2-yl)azetidin-3-yl]pyrazin-2-yl]-3-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 58546916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).