4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one

C18H23N7O4 — CID 123584562

IUPAC4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one
SMILESCC1(O)N=C(Cc2cnn3c(NC4CC4)nc(OC4CCOCC4)nc23)C(=O)N1
InChIInChI=1S/C18H23N7O4/c1-18(27)23-13(15(26)24-18)8-10-9-19-25-14(10)21-17(22-16(25)20-11-2-3-11)29-12-4-6-28-7-5-12/h9,11-12,27H,2-8H2,1H3,(H,24,26)(H,20,21,22)
InChIKeySCSLFLGDVFUTPW-UHFFFAOYSA-N
MW401.43 g/mol
LogP0.04
Rot. Bonds6

About 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one

4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one (PubChem CID 123584562) has the molecular formula C18H23N7O4 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one
PubChem CID123584562
Molecular FormulaC18H23N7O4
Molecular Weight401.43 g/mol
Exact Mass401.18
IUPAC Name4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one
SMILESCC1(O)N=C(Cc2cnn3c(NC4CC4)nc(OC4CCOCC4)nc23)C(=O)N1
InChIInChI=1S/C18H23N7O4/c1-18(27)23-13(15(26)24-18)8-10-9-19-25-14(10)21-17(22-16(25)20-11-2-3-11)29-12-4-6-28-7-5-12/h9,11-12,27H,2-8H2,1H3,(H,24,26)(H,20,21,22)
InChIKeySCSLFLGDVFUTPW-UHFFFAOYSA-N
XLogP0.04
TPSA135.26 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one?
The IUPAC name of 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one (CID 123584562) is 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one.
What is the SMILES notation for 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one?
The canonical SMILES for 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one is CC1(O)N=C(Cc2cnn3c(NC4CC4)nc(OC4CCOCC4)nc23)C(=O)N1.
What is the InChIKey of 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one?
The InChIKey is SCSLFLGDVFUTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O4/c1-18(27)23-13(15(26)24-18)8-10-9-19-25-14(10)21-17(22-16(25)20-11-2-3-11)29-12-4-6-28-7-5-12/h9,11-12,27H,2-8H2,1H3,(H,24,26)(H,20,21,22).
What are the key properties of 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one?
4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one has a molecular weight of 401.43 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylamino)-2-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one is sourced from PubChem (CID 123584562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).