3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

C23H22FN5 — CID 178068096

IUPAC3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCc1nn2c(NCc3ccncc3)c3c(nc2c1-c1ccc(F)cc1)CCCC3
InChIInChI=1S/C23H22FN5/c1-15-21(17-6-8-18(24)9-7-17)23-27-20-5-3-2-4-19(20)22(29(23)28-15)26-14-16-10-12-25-13-11-16/h6-13,26H,2-5,14H2,1H3
InChIKeyHPOPZYJCGCSLJV-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.73
Rot. Bonds4

About 3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (PubChem CID 178068096) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
PubChem CID178068096
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCc1nn2c(NCc3ccncc3)c3c(nc2c1-c1ccc(F)cc1)CCCC3
InChIInChI=1S/C23H22FN5/c1-15-21(17-6-8-18(24)9-7-17)23-27-20-5-3-2-4-19(20)22(29(23)28-15)26-14-16-10-12-25-13-11-16/h6-13,26H,2-5,14H2,1H3
InChIKeyHPOPZYJCGCSLJV-UHFFFAOYSA-N
XLogP4.73
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 178068101
N-[(4-fluorophenyl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50800751
3-(2,5-difluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 178068106
3-[[11-methyl-10-(4-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]amino]propan-1-ol
CID 16668314
11-methyl-N-(pyridin-3-ylmethyl)-10-thiophen-2-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 16668160
N-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50801517
2-[[10-(4-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]-methylamino]ethanol
CID 16668323
1-[4-[10-(4-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]piperazin-1-yl]ethanone
CID 16668280
2-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 50801502
3-[(2-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)amino]propan-1-ol
CID 16668170
10-(4-chlorophenyl)-11-methyl-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1319941
2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 3230100

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (CID 178068096) is 3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is Cc1nn2c(NCc3ccncc3)c3c(nc2c1-c1ccc(F)cc1)CCCC3.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is HPOPZYJCGCSLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c1-15-21(17-6-8-18(24)9-7-17)23-27-20-5-3-2-4-19(20)22(29(23)28-15)26-14-16-10-12-25-13-11-16/h6-13,26H,2-5,14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 387.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 178068096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).