4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C21H20N8O2 — CID 137129971

IUPAC4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(N4CCc5ccccc5C4)nc23)[nH]1
InChIInChI=1S/C21H20N8O2/c30-18-16(24-21(31)26-18)9-14-10-22-29-17(14)25-19(27-20(29)23-15-5-6-15)28-8-7-12-3-1-2-4-13(12)11-28/h1-4,9-10,15,30H,5-8,11H2,(H2,24,26,31)/b14-9?,23-20+
InChIKeyLKGLPCVEBFMWDD-GMSGOLNCSA-N
MW416.45 g/mol
LogP0.02
Rot. Bonds3

About 4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 137129971) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
PubChem CID137129971
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(N4CCc5ccccc5C4)nc23)[nH]1
InChIInChI=1S/C21H20N8O2/c30-18-16(24-21(31)26-18)9-14-10-22-29-17(14)25-19(27-20(29)23-15-5-6-15)28-8-7-12-3-1-2-4-13(12)11-28/h1-4,9-10,15,30H,5-8,11H2,(H2,24,26,31)/b14-9?,23-20+
InChIKeyLKGLPCVEBFMWDD-GMSGOLNCSA-N
XLogP0.02
TPSA127.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(E)-[4-cyclopropylimino-2-(4-methylsulfonylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136506962
4-[(4-cyclopropylimino-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-ylidene)methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137052426
4-[(E)-[4-cyclopropylimino-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137317519
4-[4-cyclopropylimino-8-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a][1,3,5]triazin-2-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 163574273
4-[(E)-[4-cyclopropylimino-2-(2-methylimidazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137290232
4-[[4-cyclopropylimino-2-(2-fluorophenoxy)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137172855
4-[[2-[(4-bromophenyl)methylamino]-4-cyclopropyliminopyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 154045387
4-[(E)-[4-cyclopropylimino-2-[[4-(dimethylamino)phenyl]methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 136506961
4-[[4-cyclopropylimino-2-[1-(2-fluorophenyl)ethylamino]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137037489
4-[(E)-[4-cyclopropylimino-2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137289859
4-[[4-cyclopropylimino-2-(1-pyridin-2-ylpropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 163621874
4-[(E)-[4-cyclopropylimino-2-[(3-fluoro-2-pyridinyl)methoxy]pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283327

Frequently Asked Questions

What is the IUPAC name of 4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 137129971) is 4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is O=c1[nH]c(O)c(C=c2cnn3/c(=N/C4CC4)nc(N4CCc5ccccc5C4)nc23)[nH]1.
What is the InChIKey of 4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is LKGLPCVEBFMWDD-GMSGOLNCSA-N. The full InChI is InChI=1S/C21H20N8O2/c30-18-16(24-21(31)26-18)9-14-10-22-29-17(14)25-19(27-20(29)23-15-5-6-15)28-8-7-12-3-1-2-4-13(12)11-28/h1-4,9-10,15,30H,5-8,11H2,(H2,24,26,31)/b14-9?,23-20+.
What are the key properties of 4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 416.45 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-cyclopropylimino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137129971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).