4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C27H22FN7O4 — CID 137152694

IUPAC4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)cc(NCc4ccc(F)cc4-c4ccc5c(c4)OCO5)nc23)[nH]1
InChIInChI=1S/C27H22FN7O4/c28-17-3-1-15(19(9-17)14-2-6-21-22(8-14)39-13-38-21)11-29-23-10-24(31-18-4-5-18)35-25(33-23)16(12-30-35)7-20-26(36)34-27(37)32-20/h1-3,6-10,12,18,29,36H,4-5,11,13H2,(H2,32,34,37)/b16-7?,31-24+
InChIKeyHCFHWQUSYORCQU-RLTVDINFSA-N
MW527.52 g/mol
LogP2.21
Rot. Bonds6

About 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137152694) has the molecular formula C27H22FN7O4 and a molecular weight of 527.52 g/mol. Its IUPAC name is 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137152694
Molecular FormulaC27H22FN7O4
Molecular Weight527.52 g/mol
Exact Mass527.17
IUPAC Name4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)cc(NCc4ccc(F)cc4-c4ccc5c(c4)OCO5)nc23)[nH]1
InChIInChI=1S/C27H22FN7O4/c28-17-3-1-15(19(9-17)14-2-6-21-22(8-14)39-13-38-21)11-29-23-10-24(31-18-4-5-18)35-25(33-23)16(12-30-35)7-20-26(36)34-27(37)32-20/h1-3,6-10,12,18,29,36H,4-5,11,13H2,(H2,32,34,37)/b16-7?,31-24+
InChIKeyHCFHWQUSYORCQU-RLTVDINFSA-N
XLogP2.21
TPSA141.92 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.52
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one with MolForge

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Related Compounds

4-[[7-cyclopropylimino-5-[[2-(1H-pyrazol-4-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 173491892
N-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-2,4-difluorobenzamide
CID 137289896
4-[(E)-[7-cyclopropylimino-5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137303116
4-[(E)-[7-cyclopropylimino-5-(2-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137304386
4-[(E)-[7-cyclopropylimino-5-[(3-propan-2-yloxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137314355
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
5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylthiophene-2-carboxamide
CID 137019898
4-[(E)-[7-cyclopropylimino-5-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137314421
ethyl N-[4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate
CID 137138582
4-[[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137036902
4-[(E)-[7-cyclopropylimino-5-(2-methoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137292508
N-[4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]-1-methylcyclopropane-1-carboxamide
CID 137316483

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137152694) is 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)cc(NCc4ccc(F)cc4-c4ccc5c(c4)OCO5)nc23)[nH]1.
What is the InChIKey of 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is HCFHWQUSYORCQU-RLTVDINFSA-N. The full InChI is InChI=1S/C27H22FN7O4/c28-17-3-1-15(19(9-17)14-2-6-21-22(8-14)39-13-38-21)11-29-23-10-24(31-18-4-5-18)35-25(33-23)16(12-30-35)7-20-26(36)34-27(37)32-20/h1-3,6-10,12,18,29,36H,4-5,11,13H2,(H2,32,34,37)/b16-7?,31-24+.
What are the key properties of 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 527.52 g/mol, XLogP of 2.21, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[[2-(1,3-benzodioxol-5-yl)-4-fluorophenyl]methylamino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137152694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).