4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C16H15FN8 — CID 78364896

IUPAC4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCn1ncc2c1ncn1nc(C3CC(c4ccc(F)cc4)NN3)nc21
InChIInChI=1S/C16H15FN8/c1-24-15-11(7-19-24)16-20-14(23-25(16)8-18-15)13-6-12(21-22-13)9-2-4-10(17)5-3-9/h2-5,7-8,12-13,21-22H,6H2,1H3
InChIKeyNJULNSKJEKJFQU-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.43
Rot. Bonds2

About 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 78364896) has the molecular formula C16H15FN8 and a molecular weight of 338.35 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID78364896
Molecular FormulaC16H15FN8
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCn1ncc2c1ncn1nc(C3CC(c4ccc(F)cc4)NN3)nc21
InChIInChI=1S/C16H15FN8/c1-24-15-11(7-19-24)16-20-14(23-25(16)8-18-15)13-6-12(21-22-13)9-2-4-10(17)5-3-9/h2-5,7-8,12-13,21-22H,6H2,1H3
InChIKeyNJULNSKJEKJFQU-UHFFFAOYSA-N
XLogP1.43
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene 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

4-[(5S,7S)-5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136814084
2-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 75543710
4-(1-adamantylmethyl)-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4776795
4-methoxy-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571476
2-(5-tert-butylpyrazolidin-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 73258191
4-[2-(difluoromethoxy)phenyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4776831
4-methoxy-N-[(10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methyl]aniline
CID 19571523
4-[2-(4-methylphenyl)cyclopropyl]-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19571435
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4777073
4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 33379975
4-[(3,4-dimethoxyphenyl)methyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 23605256
10-methyl-4-[(5R,7R)-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136814129

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 78364896) is 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cn1ncc2c1ncn1nc(C3CC(c4ccc(F)cc4)NN3)nc21.
What is the InChIKey of 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is NJULNSKJEKJFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN8/c1-24-15-11(7-19-24)16-20-14(23-25(16)8-18-15)13-6-12(21-22-13)9-2-4-10(17)5-3-9/h2-5,7-8,12-13,21-22H,6H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 338.35 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)pyrazolidin-3-yl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 78364896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).