N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine

C23H30FN5 — CID 1441779

IUPACN'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1c2c(nc3cc(-c4cccc(F)c4)nn13)CCCC2
InChIInChI=1S/C23H30FN5/c1-23(2,15-28(3)4)14-25-22-18-10-5-6-11-19(18)26-21-13-20(27-29(21)22)16-8-7-9-17(24)12-16/h7-9,12-13,25H,5-6,10-11,14-15H2,1-4H3
InChIKeyALKGBQWZOUPWDP-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.41
Rot. Bonds6

About N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 1441779) has the molecular formula C23H30FN5 and a molecular weight of 395.53 g/mol. Its IUPAC name is N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID1441779
Molecular FormulaC23H30FN5
Molecular Weight395.53 g/mol
Exact Mass395.25
IUPAC NameN'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1c2c(nc3cc(-c4cccc(F)c4)nn13)CCCC2
InChIInChI=1S/C23H30FN5/c1-23(2,15-28(3)4)14-25-22-18-10-5-6-11-19(18)26-21-13-20(27-29(21)22)16-8-7-9-17(24)12-16/h7-9,12-13,25H,5-6,10-11,14-15H2,1-4H3
InChIKeyALKGBQWZOUPWDP-UHFFFAOYSA-N
XLogP4.41
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 3230142
2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 3230144
[2,2-dimethyl-3-[[11-(3-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]amino]propyl]-dimethylazanium
CID 7440614
2-chloro-11-(3-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 18524600
2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 3230100
3-[[2-(4-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]amino]propan-1-ol
CID 3596340
2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 3230127
[2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]hydrazine
CID 82270516
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-11-(3-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1441247
9-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 3230152
3-[(1R)-2-[[11-(4-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]amino]-1-hydroxyethyl]phenol
CID 7435746
2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 3230162

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 1441779) is N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1c2c(nc3cc(-c4cccc(F)c4)nn13)CCCC2.
What is the InChIKey of N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is ALKGBQWZOUPWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5/c1-23(2,15-28(3)4)14-25-22-18-10-5-6-11-19(18)26-21-13-20(27-29(21)22)16-8-7-9-17(24)12-16/h7-9,12-13,25H,5-6,10-11,14-15H2,1-4H3.
What are the key properties of N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 395.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 1441779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).