6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole

C20H17F2N5 — CID 147132055

IUPAC6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
SMILESCn1cc(-c2cc3c(cc2F)CN=C3c2ccnc(N3CC(F)C3)c2)cn1
InChIInChI=1S/C20H17F2N5/c1-26-9-14(8-25-26)16-6-17-13(4-18(16)22)7-24-20(17)12-2-3-23-19(5-12)27-10-15(21)11-27/h2-6,8-9,15H,7,10-11H2,1H3
InChIKeyBQKJHSPQBJJLAV-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.13
Rot. Bonds3

About 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole

6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole (PubChem CID 147132055) has the molecular formula C20H17F2N5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole.

Molecular Properties

Compound Name6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
PubChem CID147132055
Molecular FormulaC20H17F2N5
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
SMILESCn1cc(-c2cc3c(cc2F)CN=C3c2ccnc(N3CC(F)C3)c2)cn1
InChIInChI=1S/C20H17F2N5/c1-26-9-14(8-25-26)16-6-17-13(4-18(16)22)7-24-20(17)12-2-3-23-19(5-12)27-10-15(21)11-27/h2-6,8-9,15H,7,10-11H2,1H3
InChIKeyBQKJHSPQBJJLAV-UHFFFAOYSA-N
XLogP3.13
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole 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

3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157070683
1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 159477110
4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 162152446
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]acetaldehyde
CID 159734349
2-cyclopropyl-5-[4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-1-yl]-1,3,4-oxadiazole;3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-methyl-5-[1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]azetidin-3-yl]-1,2,4-oxadiazole;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperazin-2-one;5-(1-methylpyrazol-4-yl)-3-[2-(4-pyrimidin-4-ylpiperazin-1-yl)-4-pyridinyl]-1H-isoindole
CID 160906158
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385729
6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385606
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
4-(2-fluoro-5-methylphenyl)-1-methylpyrazole
CID 59578603
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole?
The IUPAC name of 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole (CID 147132055) is 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole.
What is the SMILES notation for 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole?
The canonical SMILES for 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole is Cn1cc(-c2cc3c(cc2F)CN=C3c2ccnc(N3CC(F)C3)c2)cn1.
What is the InChIKey of 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole?
The InChIKey is BQKJHSPQBJJLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5/c1-26-9-14(8-25-26)16-6-17-13(4-18(16)22)7-24-20(17)12-2-3-23-19(5-12)27-10-15(21)11-27/h2-6,8-9,15H,7,10-11H2,1H3.
What are the key properties of 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole?
6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole has a molecular weight of 365.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole is sourced from PubChem (CID 147132055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).