N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine

C22H20N6 — CID 73333742

IUPACN-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine
SMILESc1ccc(-c2cc3nc(NCCCn4ccnc4)c4ccccc4n3n2)cc1
InChIInChI=1S/C22H20N6/c1-2-7-17(8-3-1)19-15-21-25-22(24-11-6-13-27-14-12-23-16-27)18-9-4-5-10-20(18)28(21)26-19/h1-5,7-10,12,14-16H,6,11,13H2,(H,24,25)
InChIKeyAKKJNEQFGLCBQE-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.25
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine

N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 73333742) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID73333742
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine
SMILESc1ccc(-c2cc3nc(NCCCn4ccnc4)c4ccccc4n3n2)cc1
InChIInChI=1S/C22H20N6/c1-2-7-17(8-3-1)19-15-21-25-22(24-11-6-13-27-14-12-23-16-27)18-9-4-5-10-20(18)28(21)26-19/h1-5,7-10,12,14-16H,6,11,13H2,(H,24,25)
InChIKeyAKKJNEQFGLCBQE-UHFFFAOYSA-N
XLogP4.25
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
CID 11438900
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride
CID 73334376
7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine
CID 68862663
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3229916
N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine
CID 89351075
N-(3-imidazol-1-ylpropyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4025230
2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 3230162
N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3610950
2-[3-[(2-methylpyrazolo[1,5-a]quinazolin-5-yl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47061514
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine
CID 19429444
N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
CID 75483061

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine (CID 73333742) is N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine is c1ccc(-c2cc3nc(NCCCn4ccnc4)c4ccccc4n3n2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is AKKJNEQFGLCBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-2-7-17(8-3-1)19-15-21-25-22(24-11-6-13-27-14-12-23-16-27)18-9-4-5-10-20(18)28(21)26-19/h1-5,7-10,12,14-16H,6,11,13H2,(H,24,25).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine?
N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 368.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 73333742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).