4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one

C20H23N7O2 — CID 123840964

IUPAC4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one
SMILESO=C1C=C(CNc2cc(NC3CC3)n3ncc(CC4=NCNC4=O)c3n2)CCC1
InChIInChI=1S/C20H23N7O2/c28-15-3-1-2-12(6-15)9-21-17-8-18(25-14-4-5-14)27-19(26-17)13(10-24-27)7-16-20(29)23-11-22-16/h6,8,10,14,25H,1-5,7,9,11H2,(H,21,26)(H,23,29)
InChIKeyNJGCGPODXGNBEB-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.47
Rot. Bonds7

About 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one

4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one (PubChem CID 123840964) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one
PubChem CID123840964
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one
SMILESO=C1C=C(CNc2cc(NC3CC3)n3ncc(CC4=NCNC4=O)c3n2)CCC1
InChIInChI=1S/C20H23N7O2/c28-15-3-1-2-12(6-15)9-21-17-8-18(25-14-4-5-14)27-19(26-17)13(10-24-27)7-16-20(29)23-11-22-16/h6,8,10,14,25H,1-5,7,9,11H2,(H,21,26)(H,23,29)
InChIKeyNJGCGPODXGNBEB-UHFFFAOYSA-N
XLogP1.47
TPSA112.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one with MolForge

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Related Compounds

N-cyclopropyl-3-[1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-4-piperidinyl]propanamide
CID 56909980
5-fluoro-3-[1-[methyl-(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one
CID 139552841
5-fluoro-3-[1-[(3-propanoylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclopropyl]-1H-pyridin-2-one
CID 139553886
N-(3-{2-methylpyrazolo[1,5-a]pyrimidin-6-yl}propyl)cyclohex-3-ene-1-carboxamide
CID 76149212
1-Tert-butyl-3-[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]urea
CID 123215714
4-[[7-(Cyclopropylamino)-5-(2,6-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one
CID 123304500
1-But-3-en-2-yl-3-[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]urea
CID 123403324
4-[4-(Cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]-3-iminobutan-2-one
CID 123507324
4-[[2-(Cyclohexylamino)-4-(cyclopropylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
CID 123522107
4-[[4-(Cyclopropylamino)-2-methylpyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
CID 123654827
N-cyclopropyl-4-[5-[(2-hydroxy-2-methylpropyl)amino]-7-[(2-methoxy-2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylcyclohexa-1,5-diene-1-carboxamide
CID 137396484
5-[[7-(Cyclopropylamino)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]imidazolidine-2,4-dione
CID 144488622

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one?
The IUPAC name of 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one (CID 123840964) is 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one.
What is the SMILES notation for 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one?
The canonical SMILES for 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one is O=C1C=C(CNc2cc(NC3CC3)n3ncc(CC4=NCNC4=O)c3n2)CCC1.
What is the InChIKey of 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one?
The InChIKey is NJGCGPODXGNBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c28-15-3-1-2-12(6-15)9-21-17-8-18(25-14-4-5-14)27-19(26-17)13(10-24-27)7-16-20(29)23-11-22-16/h6,8,10,14,25H,1-5,7,9,11H2,(H,21,26)(H,23,29).
What are the key properties of 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one?
4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one has a molecular weight of 393.45 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(cyclopropylamino)-5-[(3-oxocyclohexen-1-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1,2-dihydroimidazol-5-one is sourced from PubChem (CID 123840964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).