N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride

C23H23ClN6O — CID 73334376

IUPACN-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride
SMILESCOc1ccc(-c2cnn3c2nc(NCCCn2ccnc2)c2ccccc23)cc1.Cl
InChIInChI=1S/C23H22N6O.ClH/c1-30-18-9-7-17(8-10-18)20-15-26-29-21-6-3-2-5-19(21)22(27-23(20)29)25-11-4-13-28-14-12-24-16-28;/h2-3,5-10,12,14-16H,4,11,13H2,1H3,(H,25,27);1H
InChIKeyMFWBEPACODFPQB-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.68
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride

N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride (PubChem CID 73334376) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride
PubChem CID73334376
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride
SMILESCOc1ccc(-c2cnn3c2nc(NCCCn2ccnc2)c2ccccc23)cc1.Cl
InChIInChI=1S/C23H22N6O.ClH/c1-30-18-9-7-17(8-10-18)20-15-26-29-21-6-3-2-5-19(21)22(27-23(20)29)25-11-4-13-28-14-12-24-16-28;/h2-3,5-10,12,14-16H,4,11,13H2,1H3,(H,25,27);1H
InChIKeyMFWBEPACODFPQB-UHFFFAOYSA-N
XLogP4.68
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine
CID 73333742
N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine
CID 106537955
6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460088
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine
CID 89351075
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
CID 11438900
3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17155515
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3229916
N-(3-imidazol-1-ylpropyl)-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 142715204
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
6-N-(3-imidazol-1-ylpropyl)-4-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23494729

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride (CID 73334376) is N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride is COc1ccc(-c2cnn3c2nc(NCCCn2ccnc2)c2ccccc23)cc1.Cl.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride?
The InChIKey is MFWBEPACODFPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O.ClH/c1-30-18-9-7-17(8-10-18)20-15-26-29-21-6-3-2-5-19(21)22(27-23(20)29)25-11-4-13-28-14-12-24-16-28;/h2-3,5-10,12,14-16H,4,11,13H2,1H3,(H,25,27);1H.
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride?
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride has a molecular weight of 434.93 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride is sourced from PubChem (CID 73334376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).