4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C18H14FN7O3 — CID 137172855

IUPAC4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(Oc4ccccc4F)nc23)[nH]1
InChIInChI=1S/C18H14FN7O3/c19-11-3-1-2-4-13(11)29-18-23-14-9(7-12-15(27)24-17(28)22-12)8-20-26(14)16(25-18)21-10-5-6-10/h1-4,7-8,10,27H,5-6H2,(H2,22,24,28)/b9-7?,21-16+
InChIKeyORTVNTWPFWEZGG-CKTWOGNDSA-N
MW395.35 g/mol
LogP0.39
Rot. Bonds4

About 4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137172855) has the molecular formula C18H14FN7O3 and a molecular weight of 395.35 g/mol. Its IUPAC name is 4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137172855
Molecular FormulaC18H14FN7O3
Molecular Weight395.35 g/mol
Exact Mass395.11
IUPAC Name4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(Oc4ccccc4F)nc23)[nH]1
InChIInChI=1S/C18H14FN7O3/c19-11-3-1-2-4-13(11)29-18-23-14-9(7-12-15(27)24-17(28)22-12)8-20-26(14)16(25-18)21-10-5-6-10/h1-4,7-8,10,27H,5-6H2,(H2,22,24,28)/b9-7?,21-16+
InChIKeyORTVNTWPFWEZGG-CKTWOGNDSA-N
XLogP0.39
TPSA133.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-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

Related Compounds

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
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-[[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-[[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-[[4-cyclopropylimino-2-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163827031
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-[[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-[2-[hydroxy(methylamino)methyl]phenyl]sulfanylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137158374
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
4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137290232
4-[[4-cyclopropylimino-2-(1-pyridin-2-ylpropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163621874

Frequently Asked Questions

What is the IUPAC name of 4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 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) is 4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[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=c2cnn3/c(=N/C4CC4)nc(Oc4ccccc4F)nc23)[nH]1.
What is the InChIKey of 4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is ORTVNTWPFWEZGG-CKTWOGNDSA-N. The full InChI is InChI=1S/C18H14FN7O3/c19-11-3-1-2-4-13(11)29-18-23-14-9(7-12-15(27)24-17(28)22-12)8-20-26(14)16(25-18)21-10-5-6-10/h1-4,7-8,10,27H,5-6H2,(H2,22,24,28)/b9-7?,21-16+.
What are the key properties of 4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 395.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137172855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).