1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one

C24H25F2N7O2 — CID 122669657

IUPAC1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)c(F)c(OCCCN2CCNC2=O)c1
InChIInChI=1S/C24H25F2N7O2/c1-15-17-14-30-23(22-27-5-2-6-28-22)31-19(17)4-9-33(15)16-12-18(25)21(26)20(13-16)35-11-3-8-32-10-7-29-24(32)34/h2,5-6,12-15H,3-4,7-11H2,1H3,(H,29,34)
InChIKeyVWBQREJGYXRXOF-UHFFFAOYSA-N
MW481.51 g/mol
LogP3.13
Rot. Bonds7

About 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one

1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one (PubChem CID 122669657) has the molecular formula C24H25F2N7O2 and a molecular weight of 481.51 g/mol. Its IUPAC name is 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one
PubChem CID122669657
Molecular FormulaC24H25F2N7O2
Molecular Weight481.51 g/mol
Exact Mass481.20
IUPAC Name1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)c(F)c(OCCCN2CCNC2=O)c1
InChIInChI=1S/C24H25F2N7O2/c1-15-17-14-30-23(22-27-5-2-6-28-22)31-19(17)4-9-33(15)16-12-18(25)21(26)20(13-16)35-11-3-8-32-10-7-29-24(32)34/h2,5-6,12-15H,3-4,7-11H2,1H3,(H,29,34)
InChIKeyVWBQREJGYXRXOF-UHFFFAOYSA-N
XLogP3.13
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one (CID 122669657) is 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(F)c(F)c(OCCCN2CCNC2=O)c1.
What is the InChIKey of 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one?
The InChIKey is VWBQREJGYXRXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7O2/c1-15-17-14-30-23(22-27-5-2-6-28-22)31-19(17)4-9-33(15)16-12-18(25)21(26)20(13-16)35-11-3-8-32-10-7-29-24(32)34/h2,5-6,12-15H,3-4,7-11H2,1H3,(H,29,34).
What are the key properties of 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one?
1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one has a molecular weight of 481.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,3-difluoro-5-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)phenoxy]propyl]imidazolidin-2-one is sourced from PubChem (CID 122669657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).