4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C21H19F2N7O2 — CID 137283338

IUPAC4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCC(Nc1c/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H19F2N7O2/c1-10(11-4-13(22)7-14(23)5-11)25-17-8-18(26-15-2-3-15)30-19(28-17)12(9-24-30)6-16-20(31)29-21(32)27-16/h4-10,15,25,31H,2-3H2,1H3,(H2,27,29,32)/b12-6+,26-18+
InChIKeyPYIQSCVEMMCWMV-FZMKOPJUSA-N
MW439.43 g/mol
LogP1.51
Rot. Bonds5

About 4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137283338) has the molecular formula C21H19F2N7O2 and a molecular weight of 439.43 g/mol. Its IUPAC name is 4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137283338
Molecular FormulaC21H19F2N7O2
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC Name4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESCC(Nc1c/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H19F2N7O2/c1-10(11-4-13(22)7-14(23)5-11)25-17-8-18(26-15-2-3-15)30-19(28-17)12(9-24-30)6-16-20(31)29-21(32)27-16/h4-10,15,25,31H,2-3H2,1H3,(H2,27,29,32)/b12-6+,26-18+
InChIKeyPYIQSCVEMMCWMV-FZMKOPJUSA-N
XLogP1.51
TPSA123.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137283338) is 4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CC(Nc1c/c(=N\C2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1cc(F)cc(F)c1.
What is the InChIKey of 4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is PYIQSCVEMMCWMV-FZMKOPJUSA-N. The full InChI is InChI=1S/C21H19F2N7O2/c1-10(11-4-13(22)7-14(23)5-11)25-17-8-18(26-15-2-3-15)30-19(28-17)12(9-24-30)6-16-20(31)29-21(32)27-16/h4-10,15,25,31H,2-3H2,1H3,(H2,27,29,32)/b12-6+,26-18+.
What are the key properties of 4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 439.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137283338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).