N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide

C21H22N8O3 — CID 123313894

IUPACN-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(NC3CC3)n3ncc(CC4=NC(O)NC4=O)c3n2)c1
InChIInChI=1S/C21H22N8O3/c1-11(30)23-14-3-2-4-15(8-14)24-17-9-18(25-13-5-6-13)29-19(27-17)12(10-22-29)7-16-20(31)28-21(32)26-16/h2-4,8-10,13,21,25,32H,5-7H2,1H3,(H,23,30)(H,24,27)(H,28,31)
InChIKeyIPDWYXQFNFAFTL-UHFFFAOYSA-N
MW434.46 g/mol
LogP1.39
Rot. Bonds7

About N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide

N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide (PubChem CID 123313894) has the molecular formula C21H22N8O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide
PubChem CID123313894
Molecular FormulaC21H22N8O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC NameN-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(NC3CC3)n3ncc(CC4=NC(O)NC4=O)c3n2)c1
InChIInChI=1S/C21H22N8O3/c1-11(30)23-14-3-2-4-15(8-14)24-17-9-18(25-13-5-6-13)29-19(27-17)12(10-22-29)7-16-20(31)28-21(32)26-16/h2-4,8-10,13,21,25,32H,5-7H2,1H3,(H,23,30)(H,24,27)(H,28,31)
InChIKeyIPDWYXQFNFAFTL-UHFFFAOYSA-N
XLogP1.39
TPSA145.04 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 51.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide (CID 123313894) is N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(NC3CC3)n3ncc(CC4=NC(O)NC4=O)c3n2)c1.
What is the InChIKey of N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide?
The InChIKey is IPDWYXQFNFAFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O3/c1-11(30)23-14-3-2-4-15(8-14)24-17-9-18(25-13-5-6-13)29-19(27-17)12(10-22-29)7-16-20(31)28-21(32)26-16/h2-4,8-10,13,21,25,32H,5-7H2,1H3,(H,23,30)(H,24,27)(H,28,31).
What are the key properties of N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide?
N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide has a molecular weight of 434.46 g/mol, XLogP of 1.39, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[7-(cyclopropylamino)-3-[(2-hydroxy-5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide is sourced from PubChem (CID 123313894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).