4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide

C22H23N9O3 — CID 137303089

IUPAC4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNc2n/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)cc1
InChIInChI=1S/C22H23N9O3/c1-30(2)19(33)13-5-3-12(4-6-13)10-23-20-27-17-14(9-16-18(32)28-22(34)26-16)11-24-31(17)21(29-20)25-15-7-8-15/h3-6,9,11,15,32H,7-8,10H2,1-2H3,(H,23,25,29)(H2,26,28,34)/b14-9+
InChIKeyDMISNIZPUOMOFH-NTEUORMPSA-N
MW461.49 g/mol
LogP-0.23
Rot. Bonds6

About 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide

4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 137303089) has the molecular formula C22H23N9O3 and a molecular weight of 461.49 g/mol. Its IUPAC name is 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID137303089
Molecular FormulaC22H23N9O3
Molecular Weight461.49 g/mol
Exact Mass461.19
IUPAC Name4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNc2n/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)cc1
InChIInChI=1S/C22H23N9O3/c1-30(2)19(33)13-5-3-12(4-6-13)10-23-20-27-17-14(9-16-18(32)28-22(34)26-16)11-24-31(17)21(29-20)25-15-7-8-15/h3-6,9,11,15,32H,7-8,10H2,1-2H3,(H,23,25,29)(H2,26,28,34)/b14-9+
InChIKeyDMISNIZPUOMOFH-NTEUORMPSA-N
XLogP-0.23
TPSA156.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

CID 136127854
CID 136127854
CID 136127956
CID 136127956
CID 136128096
CID 136128096
CID 136428644
CID 136428644
CID 136428647
CID 136428647
CID 136428658
CID 136428658
CID 136483641
CID 136483641
CID 136483730
CID 136483730
CID 136483755
CID 136483755
CID 136483760
CID 136483760
CID 136483766
CID 136483766
CID 136483772
CID 136483772

Frequently Asked Questions

What is the IUPAC name of 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide (CID 137303089) is 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CNc2n/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)cc1.
What is the InChIKey of 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is DMISNIZPUOMOFH-NTEUORMPSA-N. The full InChI is InChI=1S/C22H23N9O3/c1-30(2)19(33)13-5-3-12(4-6-13)10-23-20-27-17-14(9-16-18(32)28-22(34)26-16)11-24-31(17)21(29-20)25-15-7-8-15/h3-6,9,11,15,32H,7-8,10H2,1-2H3,(H,23,25,29)(H2,26,28,34)/b14-9+.
What are the key properties of 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide?
4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 461.49 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(8E)-4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 137303089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).