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

C21H21N9O3 — CID 123648828

IUPAC4-[[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
SMILESO=C1NC(O)N=C1Cc1cnn2c(NC3CC3)nc(Oc3cccc(C4=NCCN4)c3)nc12
InChIInChI=1S/C21H21N9O3/c31-18-15(26-20(32)28-18)9-12-10-24-30-17(12)27-21(29-19(30)25-13-4-5-13)33-14-3-1-2-11(8-14)16-22-6-7-23-16/h1-3,8,10,13,20,32H,4-7,9H2,(H,22,23)(H,28,31)(H,25,27,29)
InChIKeyKAZZQLVNLRLJAX-UHFFFAOYSA-N
MW447.46 g/mol
LogP0.23
Rot. Bonds7

About 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

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 (PubChem CID 123648828) has the molecular formula C21H21N9O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID123648828
Molecular FormulaC21H21N9O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name4-[[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
SMILESO=C1NC(O)N=C1Cc1cnn2c(NC3CC3)nc(Oc3cccc(C4=NCCN4)c3)nc12
InChIInChI=1S/C21H21N9O3/c31-18-15(26-20(32)28-18)9-12-10-24-30-17(12)27-21(29-19(30)25-13-4-5-13)33-14-3-1-2-11(8-14)16-22-6-7-23-16/h1-3,8,10,13,20,32H,4-7,9H2,(H,22,23)(H,28,31)(H,25,27,29)
InChIKeyKAZZQLVNLRLJAX-UHFFFAOYSA-N
XLogP0.23
TPSA150.42 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1NC(O)N=C1Cc1cnn2c(NC3CC3)nc(Oc3cccc(C4=NCCN4)c3)nc12.
What is the InChIKey of 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?
The InChIKey is KAZZQLVNLRLJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O3/c31-18-15(26-20(32)28-18)9-12-10-24-30-17(12)27-21(29-19(30)25-13-4-5-13)33-14-3-1-2-11(8-14)16-22-6-7-23-16/h1-3,8,10,13,20,32H,4-7,9H2,(H,22,23)(H,28,31)(H,25,27,29).
What are the key properties of 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?
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 has a molecular weight of 447.46 g/mol, XLogP of 0.23, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123648828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).