4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C18H13ClFN7O3 — CID 137283406

IUPAC4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(Oc4c(F)cccc4Cl)nc23)[nH]1
InChIInChI=1S/C18H13ClFN7O3/c19-10-2-1-3-11(20)13(10)30-18-24-14-8(6-12-15(28)25-17(29)23-12)7-21-27(14)16(26-18)22-9-4-5-9/h1-3,6-7,9,28H,4-5H2,(H2,23,25,29)/b8-6+,22-16+
InChIKeyPEPFCIHHAGXGLM-XBBKCZISSA-N
MW429.80 g/mol
LogP1.04
Rot. Bonds4

About 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137283406) has the molecular formula C18H13ClFN7O3 and a molecular weight of 429.80 g/mol. Its IUPAC name is 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137283406
Molecular FormulaC18H13ClFN7O3
Molecular Weight429.80 g/mol
Exact Mass429.08
IUPAC Name4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(Oc4c(F)cccc4Cl)nc23)[nH]1
InChIInChI=1S/C18H13ClFN7O3/c19-10-2-1-3-11(20)13(10)30-18-24-14-8(6-12-15(28)25-17(29)23-12)7-21-27(14)16(26-18)22-9-4-5-9/h1-3,6-7,9,28H,4-5H2,(H2,23,25,29)/b8-6+,22-16+
InChIKeyPEPFCIHHAGXGLM-XBBKCZISSA-N
XLogP1.04
TPSA133.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.80
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one with MolForge

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Related Compounds

4-[[4-cyclopropylimino-2-(2,3-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163491588
4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137172855
4-[(E)-[4-cyclopropylimino-2-[(3-fluoro-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283327
6-[[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxymethyl]-1H-pyridin-2-one;methane
CID 160611432
4-[[2-[(3-chloro-2-fluorophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137021772
4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137052426
4-[(E)-[4-cyclopropylimino-2-[(2,3-dichlorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136506946
4-[(E)-[4-cyclopropylimino-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137314393
4-[[4-cyclopropylimino-2-[(6-methoxy-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137153514
4-[(E)-[2-[(3-chloro-4-fluorophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136602840
4-[[4-cyclopropylimino-2-[1-(2-fluorophenyl)ethylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137037489
4-[[2-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137072247

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137283406) is 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(/C=c2\cnn3/c(=N/C4CC4)nc(Oc4c(F)cccc4Cl)nc23)[nH]1.
What is the InChIKey of 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is PEPFCIHHAGXGLM-XBBKCZISSA-N. The full InChI is InChI=1S/C18H13ClFN7O3/c19-10-2-1-3-11(20)13(10)30-18-24-14-8(6-12-15(28)25-17(29)23-12)7-21-27(14)16(26-18)22-9-4-5-9/h1-3,6-7,9,28H,4-5H2,(H2,23,25,29)/b8-6+,22-16+.
What are the key properties of 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 429.80 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[2-(2-chloro-6-fluorophenoxy)-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137283406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).