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

C18H24N8O3 — CID 123215714

IUPAC1-tert-butyl-3-[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]urea
SMILESCC(C)(C)NC(=O)Nc1cc(NC2CC2)n2ncc(CC3=NC(O)NC3=O)c2n1
InChIInChI=1S/C18H24N8O3/c1-18(2,3)25-17(29)23-12-7-13(20-10-4-5-10)26-14(22-12)9(8-19-26)6-11-15(27)24-16(28)21-11/h7-8,10,16,20,28H,4-6H2,1-3H3,(H,24,27)(H2,22,23,25,29)
InChIKeyRCRLUIWMGKEKRK-UHFFFAOYSA-N
MW400.44 g/mol
LogP0.61
Rot. Bonds5

About 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

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 (PubChem CID 123215714) has the molecular formula C18H24N8O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-tert-butyl-3-[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]urea
PubChem CID123215714
Molecular FormulaC18H24N8O3
Molecular Weight400.44 g/mol
Exact Mass400.20
IUPAC Name1-tert-butyl-3-[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]urea
SMILESCC(C)(C)NC(=O)Nc1cc(NC2CC2)n2ncc(CC3=NC(O)NC3=O)c2n1
InChIInChI=1S/C18H24N8O3/c1-18(2,3)25-17(29)23-12-7-13(20-10-4-5-10)26-14(22-12)9(8-19-26)6-11-15(27)24-16(28)21-11/h7-8,10,16,20,28H,4-6H2,1-3H3,(H,24,27)(H2,22,23,25,29)
InChIKeyRCRLUIWMGKEKRK-UHFFFAOYSA-N
XLogP0.61
TPSA145.04 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 50.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

N-methyl-3-[2-methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 69867698
N-hydroxy-3-[4-(methylamino)-2-propylpyrazolo[1,5-a][1,3,5]triazin-8-yl]propanamide
CID 90956787
4-[[7-(Cyclopropylamino)-5-(methylideneamino)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 123163195
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-(oxan-4-yloxy)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-2-methyl-1H-imidazol-5-one
CID 123584562
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-[4-[[4-(cyclobutylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-pyrrolidin-1-ylpropanamide
CID 123658229
4-[[4-(Cyclopropylamino)-2-(pyrrolidin-1-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methyl]-2-hydroxy-1,2-dihydroimidazol-5-one
CID 123658704
3-[Cyclopropyl-[4-(cyclopropylamino)-8-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propanenitrile
CID 123765322

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)NC(=O)Nc1cc(NC2CC2)n2ncc(CC3=NC(O)NC3=O)c2n1.
What is the InChIKey of 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?
The InChIKey is RCRLUIWMGKEKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O3/c1-18(2,3)25-17(29)23-12-7-13(20-10-4-5-10)26-14(22-12)9(8-19-26)6-11-15(27)24-16(28)21-11/h7-8,10,16,20,28H,4-6H2,1-3H3,(H,24,27)(H2,22,23,25,29).
What are the key properties of 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?
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 has a molecular weight of 400.44 g/mol, XLogP of 0.61, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123215714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).