5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one

C18H15ClFN3O2 — CID 170233509

IUPAC5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(=O)Cn1cnc2c(c(-c3ccc(F)c(Cl)c3)cn2C2CC2)c1=O
InChIInChI=1S/C18H15ClFN3O2/c1-10(24)7-22-9-21-17-16(18(22)25)13(8-23(17)12-3-4-12)11-2-5-15(20)14(19)6-11/h2,5-6,8-9,12H,3-4,7H2,1H3
InChIKeyZUYOYOJIDCXPDG-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.58
Rot. Bonds4

About 5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one

5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 170233509) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID170233509
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(=O)Cn1cnc2c(c(-c3ccc(F)c(Cl)c3)cn2C2CC2)c1=O
InChIInChI=1S/C18H15ClFN3O2/c1-10(24)7-22-9-21-17-16(18(22)25)13(8-23(17)12-3-4-12)11-2-5-15(20)14(19)6-11/h2,5-6,8-9,12H,3-4,7H2,1H3
InChIKeyZUYOYOJIDCXPDG-UHFFFAOYSA-N
XLogP3.58
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 129227368
5-(3-chloro-4-fluorophenyl)-3-(2-cyclopentyl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
CID 147986003
5-(3-chloro-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 137360204
5-(4-chlorophenyl)-7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 129227472
1-cyclopropyl-3-(3,4-dichlorophenyl)-5-[2-[3-fluoro-3-(fluoromethyl)azetidin-1-yl]-2-oxoethyl]pyrrolo[3,2-c]pyridin-4-one
CID 129227516
7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 139219379
5-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(3,3-difluoroazetidin-1-yl)-2-oxoethyl]-7-ethylpyrrolo[2,3-d]pyrimidin-4-one
CID 129227765
5-(4-chloro-3-methylphenyl)-7-(2-hydroxyethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 159137524
1-[4-[4-amino-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 59633608
5-bromo-7-cyclopropyl-3-[2-(3-fluoro-3-methyl-2H-azepin-1-yl)-2-oxoethyl]pyrrolo[2,3-d]pyrimidin-4-one
CID 175095555
[2-tert-butyl-4-(4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
CID 175902630
2-[[3-(3-chloro-4-fluorophenyl)-5-[2-(3-fluoropyrrolidin-1-yl)-2-oxoethyl]-4-oxopyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-dimethylsulfanium
CID 163534123

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 170233509) is 5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one is CC(=O)Cn1cnc2c(c(-c3ccc(F)c(Cl)c3)cn2C2CC2)c1=O.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is ZUYOYOJIDCXPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-10(24)7-22-9-21-17-16(18(22)25)13(8-23(17)12-3-4-12)11-2-5-15(20)14(19)6-11/h2,5-6,8-9,12H,3-4,7H2,1H3.
What are the key properties of 5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one?
5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 359.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 170233509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).