4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one

C19H18ClN7O3 — CID 123438227

IUPAC4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
SMILESO=C1NC(O)N=C1Cc1cnn2c(NC3CC3)nc(OCc3cccc(Cl)c3)nc12
InChIInChI=1S/C19H18ClN7O3/c20-12-3-1-2-10(6-12)9-30-19-24-15-11(7-14-16(28)25-18(29)23-14)8-21-27(15)17(26-19)22-13-4-5-13/h1-3,6,8,13,18,29H,4-5,7,9H2,(H,25,28)(H,22,24,26)
InChIKeyWXPZDQQJDQYMGE-UHFFFAOYSA-N
MW427.85 g/mol
LogP1.32
Rot. Bonds7

About 4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one

4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one (PubChem CID 123438227) has the molecular formula C19H18ClN7O3 and a molecular weight of 427.85 g/mol. Its IUPAC name is 4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
PubChem CID123438227
Molecular FormulaC19H18ClN7O3
Molecular Weight427.85 g/mol
Exact Mass427.12
IUPAC Name4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
SMILESO=C1NC(O)N=C1Cc1cnn2c(NC3CC3)nc(OCc3cccc(Cl)c3)nc12
InChIInChI=1S/C19H18ClN7O3/c20-12-3-1-2-10(6-12)9-30-19-24-15-11(7-14-16(28)25-18(29)23-14)8-21-27(15)17(26-19)22-13-4-5-13/h1-3,6,8,13,18,29H,4-5,7,9H2,(H,25,28)(H,22,24,26)
InChIKeyWXPZDQQJDQYMGE-UHFFFAOYSA-N
XLogP1.32
TPSA126.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[4-(cyclopropylamino)-2-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
CID 123648828
4-[[4-(cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
CID 123658704
N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187804
4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80876394
(3E)-3-[[4-(cyclopropylamino)-2-(2,5-dichlorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]pyrrolidine-2,5-dione
CID 58315170
(3E)-3-[[2-(2-chloro-6-fluorophenoxy)-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]pyrrolidine-2,5-dione
CID 58315038
2-[(3-chlorophenyl)methyl]-5-(cyclobutylamino)pyridazin-3-one
CID 103220548
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 65125438
trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol
CID 133495474
3-[[5-[(3-chlorophenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 67065634
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 65127178
5-[(3-chlorophenyl)methoxy]-N-cyclopentyl-4-oxo-1H-pyridine-2-carboxamide
CID 91641085

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one?
The IUPAC name of 4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one (CID 123438227) is 4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one.
What is the SMILES notation for 4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one?
The canonical SMILES for 4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one is O=C1NC(O)N=C1Cc1cnn2c(NC3CC3)nc(OCc3cccc(Cl)c3)nc12.
What is the InChIKey of 4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one?
The InChIKey is WXPZDQQJDQYMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O3/c20-12-3-1-2-10(6-12)9-30-19-24-15-11(7-14-16(28)25-18(29)23-14)8-21-27(15)17(26-19)22-13-4-5-13/h1-3,6,8,13,18,29H,4-5,7,9H2,(H,25,28)(H,22,24,26).
What are the key properties of 4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one?
4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one has a molecular weight of 427.85 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-chlorophenyl)methoxy]-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one is sourced from PubChem (CID 123438227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).