1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one

C23H18F3N5O — CID 118373037

IUPAC1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one
SMILESCn1cc(-c2ccc(N3CCC(c4cc(F)cc(F)c4)C3=O)cc2F)c2c(N)ncnc21
InChIInChI=1S/C23H18F3N5O/c1-30-10-18(20-21(27)28-11-29-22(20)30)17-3-2-15(9-19(17)26)31-5-4-16(23(31)32)12-6-13(24)8-14(25)7-12/h2-3,6-11,16H,4-5H2,1H3,(H2,27,28,29)
InChIKeyJZSDPOSETBCTOH-UHFFFAOYSA-N
MW437.43 g/mol
LogP4.16
Rot. Bonds3

About 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one

1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one (PubChem CID 118373037) has the molecular formula C23H18F3N5O and a molecular weight of 437.43 g/mol. Its IUPAC name is 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one
PubChem CID118373037
Molecular FormulaC23H18F3N5O
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one
SMILESCn1cc(-c2ccc(N3CCC(c4cc(F)cc(F)c4)C3=O)cc2F)c2c(N)ncnc21
InChIInChI=1S/C23H18F3N5O/c1-30-10-18(20-21(27)28-11-29-22(20)30)17-3-2-15(9-19(17)26)31-5-4-16(23(31)32)12-6-13(24)8-14(25)7-12/h2-3,6-11,16H,4-5H2,1H3,(H2,27,28,29)
InChIKeyJZSDPOSETBCTOH-UHFFFAOYSA-N
XLogP4.16
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one (CID 118373037) is 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one is Cn1cc(-c2ccc(N3CCC(c4cc(F)cc(F)c4)C3=O)cc2F)c2c(N)ncnc21.
What is the InChIKey of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one?
The InChIKey is JZSDPOSETBCTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O/c1-30-10-18(20-21(27)28-11-29-22(20)30)17-3-2-15(9-19(17)26)31-5-4-16(23(31)32)12-6-13(24)8-14(25)7-12/h2-3,6-11,16H,4-5H2,1H3,(H2,27,28,29).
What are the key properties of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one?
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one has a molecular weight of 437.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-(3,5-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 118373037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).